9-Cyclopropyl-6,8-Difluoro-7-Piperazin-1-Yl-5H-Isothiazolo[5,4-B]Quinoline-3A,4A,5,6,7,8,8A,9A-Octaide-3,4-Dione
Properties
| Property | Value |
|---|---|
| Formula | C17H25F2N4O2S+ |
| IUPAC Name | (3ar,4ar,6s,7r,8s,8ar,9r,9ar)-9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-4a,5,6,7,8,8a,9,9a-octahydro-3ah-isothiazolo[5,4-b]quinolin-9-ium-3,4-dione |
| Molecular Mass | 387.468 g·mol−1 |
| Heat of Formation | -260.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.71 ± 1.08 D |
| Volume | 397.83 Å 3 |
| Surface Area | 340.33 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | 1.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AMAYCTALCSHYPG-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |