(6R,7S)-7-{[(2R)-2-{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]Amino}-2-(4-Hydroxyphenyl)Acetyl]Amino}-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Formula C25H27N9O8S2
IUPAC Name (6s,7r)-7-[[(2r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 645.667 g·mol−1
Heat of Formation -740.9 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 700.02 Å 3
Surface Area 591.7 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey GCFBRXLSHGKWDP-MCFFVMPBSA-N
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