7-[(7R)-7-Amino-5-Azaspiro[2.4]Hept-5-Yl]-8-Chloro-6-Fluoro-1-(2-Fluorocyclopropyl)-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H18ClF2N3O3
IUPAC Name 7-[(5s,7r)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1r,2r)-2-fluorocyclopropyl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 409.814 g·mol−1
Heat of Formation 2336.8 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 427.78 Å 3
Surface Area 367.93 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -2.93 ± eV
Point Group Symmetry C1
InChIKey PNUZDKCDAWUEGK-RTXFEEFZSA-N
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Elements N F C O Cl