7-{[(2E)-2-[(Carboxymethoxy)Amino]-2-(3H-Pyrazol-3-Ylidene)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 C17H17N9O7S2+
IUPAC Name (6s,7r)-7-[[(2z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-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 523.503 g·mol−1
Heat of Formation -235.2 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 540.46 Å 3
Surface Area 453.36 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
InChIKey FDKJLXXPKTZQHJ-DUVVPJPMSA-N
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