Difethialone
Properties
Property | Value |
---|---|
Formula | C31H23BrO2S |
IUPAC Name | 3-[(1s,3s)-3-[4-(4-bromophenyl)phenyl]tetralin-1-yl]-2-hydroxy-thiochromen-4-one |
Molecular Mass | 539.482 g·mol−1 |
Heat of Formation | 115.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.78 ± 1.08 D |
Volume | 578.71 Å 3 |
Surface Area | 464.15 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | 1.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | VSVAQRUUFVBBFS-KCWPFWIISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H S O Br |