7-{[(2-Amino-1,3-Thiazol-4-Yl)(Methoxyimino)Acetyl]Amino}-3-[({[1-Cyclopropyl-6-Fluoro-4-Oxo-7-(1-Piperazinyl)-1,4-Dihydro-3-Quinolinyl]Carbonyl}Oxy)Methyl]-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,7s)-7-[[(2z)-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-quinolin-1-ium-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 -655.8 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 791.87 Å 3
Surface Area 638.62 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey MPWTZPXSZLWXHL-KYZSPBBHSA-N
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