7-{[(4-Hydroxyphenyl){[(6-Methyl-4-Oxo-1,4-Dihydro-3-Pyridinyl)Carbonyl]Amino}Acetyl]Amino}-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C25H23N8O7S2-
IUPAC Name (6r)-7-[[(2r)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1h-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 611.630 g·mol−1
Heat of Formation 3247.8 ± 16.7 kJ·mol−1
Dipole Moment 18.11 ± 1.08 D
Volume 631.47 Å 3
Surface Area 525.54 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -4.13 ± eV
Point Group Symmetry C1
InChIKey PWAUCHMQEXVFJR-IEGUWTFLSA-N
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