(1S,4R,5R,6R,7S,9R,11S,13S)-7-Fluoro-6-(4-Methylpiperazin-1-Yl)-4,10-Dioxo-4Λ4-Thia-1-Azoniatricyclo[7.3.1.05,13]Tridecane-11-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H27FN3O4S+ |
| IUPAC Name | (1s,4r,5r,6r,7s,9r,11s,13s)-7-fluoro-6-(4-methylpiperazin-1-yl)-4,10-dioxo-4λ4-thia-1-azoniatricyclo[7.3.1.05,13]tridecane-11-carboxylic acid |
| Molecular Mass | 388.477 g·mol−1 |
| Heat of Formation | -584.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.38 ± 1.08 D |
| Volume | 403.66 Å 3 |
| Surface Area | 339.63 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | 1.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMSHMWQEBSWMOQ-KLWINRFUSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |