(6R,7R)-7-[[(2E)-2-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-(1-Carboxy-1-Methyl-Ethoxy)Imino-Acetyl]Amino]-3-[[(1,5-Dihydroxy-4-Oxo-Piperidine-2,3,5,6-Tetraid-2-Yl)Methyl-Methyl-Amino]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H33N7O10S2+
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[[(1,5-dihydroxy-4-oxo-piperidine-2,3,5,6-tetraid-2-yl)methyl-methyl-amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 643.690 g·mol−1
Heat of Formation -995.3 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 695.66 Å 3
Surface Area 547.83 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey IQRAFWQRNKMENM-AMHVPHQMSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N