(3S,4S,5R)-3-(3-Bromo-4-Hydroxybenzyl)-5-[(3-Cyclopropylbenzyl)Amino]Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C22H26BrNO4S |
| IUPAC Name | (3s,4s,5r)-3-[(3-bromo-4-hydroxy-phenyl)methyl]-5-[(3-cyclopropylphenyl)methylamino]-1,1-dioxo-thian-4-ol |
| Molecular Mass | 480.415 g·mol−1 |
| Heat of Formation | -466.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.59 ± 1.08 D |
| Volume | 508.18 Å 3 |
| Surface Area | 434.05 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -0.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NDEIDRFQAYLHLT-CBQOVEMMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |