(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-2-Carboxy-3-{[(1-Methyl-4-Pyridiniumyl)Sulfanyl]Methyl}-8-Oxo-5-Thionia-1-Azabicyclo[4.2.0]Oct-2-En-5-Olate

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Properties Simple | Detailed

Formula C23H15N6O8S3+
IUPAC Name (5r,6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 599.596 g·mol−1
Heat of Formation 2013.0 ± 16.7 kJ·mol−1
Dipole Moment 20.14 ± 1.08 D
Volume 610.01 Å 3
Surface Area 479.97 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -2.46 ± eV
Point Group Symmetry C1
InChIKey HCCFUFNFJIUPHS-ADSSRZJUSA-O
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