Bonopen

Molecule SVG Image

Properties Simple | Detailed

Formula C17H19N3O4S
IUPAC Name (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-(methyleneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 361.415 g·mol−1
Heat of Formation -372.5 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 428.81 Å 3
Surface Area 339.29 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-(methyleneamino)-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-(methyleneamino)-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-(methylideneamino)-2-phenyl-ethanoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-3,3-dimethyl-6-[[(2r)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-7-keto-3,3-dimethyl-6-[[(2r)-2-(methyleneamino)-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • bpbio1_000341
InChIKey FZECHKJQHUVANE-MCYUEQNJSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N