4-Tert-Butyl-1-(4-Isothiocyanatophenyl)-2,6,7-Trioxabicyclo[2.2.2]Octane
Properties
| Property | Value |
|---|---|
| Formula | C16H19NO3S |
| IUPAC Name | 1-tert-butyl-4-(4-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane |
| Molecular Mass | 305.392 g·mol−1 |
| Heat of Formation | -335.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.81 ± 1.08 D |
| Volume | 357.5 Å 3 |
| Surface Area | 315.14 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -1.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YQBOEEPCDKMJBG-WKILWMFISA-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 |