1-Acetoxyethyl (6R,7S)-3-[(Carbamoyloxy)Methyl]-7-{[(2E)-2-(2-Furyl)-2-(Methoxyimino)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22N4O10S
IUPAC Name [(1r)-1-acetoxyethyl] (6s,7r)-3-(carbamoyloxymethyl)-7-[[(2e)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 510.474 g·mol−1
Heat of Formation -1208.9 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 566.37 Å 3
Surface Area 477.41 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey KEJCWVGMRLCZQQ-BYGXBCHJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N