1-{[(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}-5,6,7,8-Tetrahydroquinolinium

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Properties Simple | Detailed

Formula C23H25N6O5S2+
IUPAC Name (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 529.612 g·mol−1
Heat of Formation -113.9 ± 16.7 kJ·mol−1
Dipole Moment 11.51 ± 1.08 D
Volume 576.95 Å 3
Surface Area 492.3 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
InChIKey YWKJNRNSJKEFMK-GJNNJVKPSA-N
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