(6R,7R)-7-[[(2E)-2-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-(1-Carboxy-1-Methyl-Ethoxy)Imino-Acetyl]Amino]-3-[(3-Hydroxy-4-Oxo-Piperidine-2,3,5,6-Tetraid-1-Yl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H28N6O9S2+
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[(3-hydroxy-4-oxo-piperidine-2,3,5,6-tetraid-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 584.622 g·mol−1
Heat of Formation -940.3 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 624.13 Å 3
Surface Area 491.37 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey ZBSQRPNJJWERLD-BGJWUHEBSA-O
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