(6R,7R)-7-[[(2Z)-2-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-[(2-Methyl-5,6-Dioxo-Blahcyclohexa-3,4-Dien-3-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H19N8O7S3
IUPAC Name (6r,7r)-7-[[(2z)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-blahcyclohexa-3,4-dien-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 555.588 g·mol−1
Heat of Formation -339.4 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 576.2 Å 3
Surface Area 492.64 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
InChIKey ISGLXDZMKLBGCT-SPQHTLEESA-N
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