4,4'-{(2S,3R)-1-[(3-Propyl-3H-Diaziren-3-Yl)Sulfanyl]-2,3-Pentanediyl}Diphenol
Properties
| Property | Value |
|---|---|
| Formula | C21H26N2O2S |
| IUPAC Name | 4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)-3-(3-propyldiazirin-3-yl)sulfanyl-propyl]phenol |
| Molecular Mass | 370.508 g·mol−1 |
| Heat of Formation | 57.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.33 ± 1.08 D |
| Volume | 467.67 Å 3 |
| Surface Area | 365.99 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XXBAPQLLDVOKPX-VQTJNVASSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |