5-Amino-7-[(1R,3R,4S)-3-(1-Aminocyclopropyl)-4-Fluoro-Pyrrolidin-1-Yl]-6-Fluoro-1-[(1R,2S)-2-Fluorocyclopropyl]-8-Methyl-4-Oxo-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H32F3N4O3+
IUPAC Name 5-amino-7-[(1r,3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxo-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 445.499 g·mol−1
Heat of Formation -723.1 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 482.54 Å 3
Surface Area 386.14 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey JTSPRHFWOWCVQW-HEZKSIIWSA-O
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