(3S,4S,5R)-3-{[3-(2,2-Difluoroethyl)-1H-Indol-5-Yl]Methyl}-5-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C27H34F2N2O3S |
| IUPAC Name | (3r,4s,5s)-3-[(3-tert-butylphenyl)methylamino]-5-[[3-(2,2-difluoroethyl)indol-1-ium-5-yl]methyl]-1,1-dioxo-thian-4-ol |
| Molecular Mass | 504.632 g·mol−1 |
| Heat of Formation | -849.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.71 ± 1.08 D |
| Volume | 605.94 Å 3 |
| Surface Area | 504.49 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OOZZVYSXZBAROL-PSUQPPDWSA-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 |