(1R,2R,5S,6S,7S,9R,11R,13R)-7-Fluoro-2-(Fluoromethyl)-6-(4-Methylpiperazin-1-Yl)-10-Oxo-4-Thia-1-Azoniatricyclo[7.3.1.05,13]Tridecane-11-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H28F2N3O3S+ |
| IUPAC Name | (1r,2r,5s,6s,7s,9r,11r,13r)-7-fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azoniatricyclo[7.3.1.05,13]tridecane-11-carboxylic acid |
| Molecular Mass | 404.495 g·mol−1 |
| Heat of Formation | -657.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.87 ± 1.08 D |
| Volume | 427.44 Å 3 |
| Surface Area | 357.24 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KUQJYWKGGVMAGQ-BHGSCXPDSA-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 |