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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16ClN3O4
IUPAC Name (6r,7s)-7-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 349.769 g·mol−1
Heat of Formation -463.2 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 387.72 Å 3
Surface Area 337.52 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-7-[[(2s)-2-amino-1-oxo-2-phenylethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s)-2-amino-2-phenyl-ethanoyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey JAPHQRWPEGVNBT-WOPDTQHZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl