(6R,7R)-7-[[(2E)-2-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-[(1-Cyclopropyl-6-Fluoro-4-Oxo-7-Piperazin-1-Yl-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carbonyl)Oxymethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C31H41FN8O8S2+
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 736.834 g·mol−1
Heat of Formation -673.6 ± 16.7 kJ·mol−1
Dipole Moment 11.95 ± 1.08 D
Volume 789.77 Å 3
Surface Area 645.96 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey SFIFROLEIVKWAY-YAMCBYSTSA-O
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