(1'R,3R,10'S)-5-(2,2,2-Trifluoroethyl)-5'-{(1E)-3-[4-(Trifluoromethyl)-1-Piperidinyl]-1-Propen-1-Yl}Spiro[1,2,5-Thiadiazolidine-3,13'-Tricyclo[8.2.1.0~3,8~]Trideca[3,5,7]Triene] 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C25H31F6N3O2S |
| IUPAC Name | (1'r,4r,10's)-2-(2,2,2-trifluoroethyl)-5'-[(e)-3-[4-(trifluoromethyl)-1-piperidyl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide |
| Molecular Mass | 551.588 g·mol−1 |
| Heat of Formation | -836.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.27 ± 1.08 D |
| Volume | 588.75 Å 3 |
| Surface Area | 484.99 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NKHUILHBYOOZDF-NCOIWELASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |