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
Properties
Property | Value |
---|---|
Formula | C19H33FN3O9P2+ |
IUPAC Name | (1r,3s,4ar,6s,7r,8ar)-1-cyclopropyl-7-[4-(2,2-diphosphonoethyl)piperazin-1-yl]-6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-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 |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N P |