Sulbactam

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Properties Simple | Detailed

Formula C8H11NO5S
IUPAC Name (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 233.242 g·mol−1
Heat of Formation -767.4 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 245.66 Å 3
Surface Area 214.53 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
  • (2s,5r)-4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-,4,4-dioxide, (2s, cis)
  • bb_nc-1009
CAS Number(s)
  • 68373-14-8
InChIKey FKENQMMABCRJMK-RITPCOANSA-N
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