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 |