(3R,4S,5S)-3-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}-5-[(4,4,7'-Trifluoro-1',2'-Dihydrospiro[Cyclohexane-1,3'-Indol]-5'-Yl)Methyl]Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C30H39F3N2O3S |
| IUPAC Name | (3r,4s,5s)-3-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-5-[(4,4,7'-trifluorospiro[cyclohexane-1,3'-indoline]-5'-yl)methyl]thian-4-ol |
| Molecular Mass | 564.702 g·mol−1 |
| Heat of Formation | -1155.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.91 ± 1.08 D |
| Volume | 663.89 Å 3 |
| Surface Area | 534.11 Å 2 |
| HOMO Energy | -8.59 ± 0.55 eV |
| LUMO Energy | -0.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YSVPVGYQIWTLEZ-UDZXTKBFSA-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 |