(6R,7S)-7-Amino-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C8H9ClN2O3
IUPAC Name (6r,7s)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 216.622 g·mol−1
Heat of Formation -398.0 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 228.61 Å 3
Surface Area 213.56 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-7-amino-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (6r-trans)-
  • 3-chloro-1-carbacephem
  • 7-amino-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6r-trans)-
CAS Number(s)
  • 76497-76-2
InChIKey QNXHTHMVKRGOSJ-UHNVWZDZSA-N
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