(6S,7R)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-8-Oxo-3-(1-Pyridiniumylmethyl)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C22H22N6O7S2
IUPAC Name (6s,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 546.576 g·mol−1
Heat of Formation -451.4 ± 16.7 kJ·mol−1
Dipole Moment 14.68 ± 1.08 D
Volume 596.67 Å 3
Surface Area 491.02 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey ORFOPKXBNMVMKC-HOOSBNCKSA-N
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