(1S,2S,5S,6S,7R,9R,11S,13S)-7-Fluoro-2-Methyl-6-(4-Methylpiperazin-1-Yl)-10-Oxo-4-Oxa-1-Azoniatricyclo[7.3.1.05,13]Tridecane-11-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H29FN3O4+ |
| IUPAC Name | (1s,2s,5s,6s,7r,9r,11s,13s)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azoniatricyclo[7.3.1.05,13]tridecane-11-carboxylic acid |
| Molecular Mass | 370.439 g·mol−1 |
| Heat of Formation | -656.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.48 ± 1.08 D |
| Volume | 403.88 Å 3 |
| Surface Area | 341.61 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | 2.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DDCYDCKPCNFNQG-YURLJYFLSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |