(4S,5R)-5-Hydroxy-4-(3-Hydroxyphenyl)-3,4,5,6,7,8-Hexahydro-2(1H)-Quinazolinethione
Properties
Property | Value |
---|---|
Formula | C14H16N2O2S |
IUPAC Name | (4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-1h-quinazoline-2-thione |
Molecular Mass | 276.354 g·mol−1 |
Heat of Formation | -219.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.12 ± 1.08 D |
Volume | 321.69 Å 3 |
Surface Area | 281.51 Å 2 |
HOMO Energy | -8.48 ± 0.55 eV |
LUMO Energy | -0.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | RZXURKNWIBRDDX-YPMHNXCESA-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 |