Avibactam
C7H11N3O6S
1192500-31-4 Copyright (C) 2024 ACS
 18 19  0  0  1  0  0  0  0  0999 V2000
    0.9417    2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.8678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9779    3.4397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0229    1.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    2.9725    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    9.5629    4.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1267    2.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4593    3.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819    1.3309    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.4678    2.4987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1359    1.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219    3.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4829    1.6389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    1.3119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4923    2.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126    0.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 11  1  1  6  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  6  0  0  0
M  END
> <cas.rn>
1192500-31-4

> <cas.index.name>
Sulfuric acid, mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester

> <molecular.formula>
C7H11N3O6S

> <molecular.weight>
265.25

> <density.predicted>
1.854±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
16.763±0.20    Most Acidic Temp: 25 °C

$$$$
