1-Cyclopropyl-7-[4-(2,2-Diphosphonoethyl)Piperazin-1-Yl]-6-Fluoro-4-Oxo-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H33FN3O9P2+
IUPAC Name 1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoro-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 528.426 g·mol−1
Heat of Formation -1948.7 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 552.23 Å 3
Surface Area 453.17 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey HWITVTVDJAWWDM-UHFFFAOYSA-O
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