7-[(1S,3R)-3-(1-Amino-1-Methyl-Ethyl)Pyrrolidin-1-Yl]-9-Cyclopropyl-6-Fluoro-8-Methoxy-5H-Isothiazolo[5,4-B]Quinoline-3A,4A,5,6,7,8,8A,9A-Octaide-3,4-Dione
Properties
| Property | Value |
|---|---|
| Formula | C21H34FN4O3S+ |
| IUPAC Name | 7-[(1s,3r)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-5h-isothiazolo[5,4-b]quinoline-3a,4a,5,6,7,8,8a,9a-octaide-3,4-dione |
| Molecular Mass | 441.583 g·mol−1 |
| Heat of Formation | -349.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.46 ± 1.08 D |
| Volume | 490.32 Å 3 |
| Surface Area | 385.75 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | 1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YEMKKRTZDBBVGW-OMKQZZAESA-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 |