(6R)-7-{[(2R)-2-(4-Hydroxyphenyl)-2-{[(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-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H16N8O7S2
IUPAC Name (6r)-7-{[(2r)-2-(4-hydroxyphenyl)-2-{[(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-carboxylic acid
Molecular Mass 604.574 g·mol−1
Heat of Formation 3046.7 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 603.15 Å 3
Surface Area 489.69 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -3.16 ± eV
Point Group Symmetry C1
InChIKey PWAUCHMQEXVFJR-YZZKKUAISA-M
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