(4R)-5-[(S)-(3,4-Difluorophenyl)(Hydroxy)Methyl]-4-(3-Hydroxyphenyl)-1,6-Dimethyl-3,4-Dihydro-2(1H)-Pyrimidinethione
Properties
Property | Value |
---|---|
Formula | C19H18F2N2O2S |
IUPAC Name | (6r)-5-[(s)-(3,4-difluorophenyl)-hydroxy-methyl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidine-2-thione |
Molecular Mass | 376.420 g·mol−1 |
Heat of Formation | -475.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.73 ± 1.08 D |
Volume | 423.85 Å 3 |
Surface Area | 343.9 Å 2 |
HOMO Energy | -8.54 ± 0.55 eV |
LUMO Energy | -1.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | WGZRWWKQRQTPSR-MSOLQXFVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |