(4R)-5-[(S)-(3,4-Difluorophenyl)(Hydroxy)Methyl]-4-(3-Hydroxyphenyl)-1,6-Dimethyl-3,4-Dihydro-2(1H)-Pyrimidinethione

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Properties Simple | Detailed

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
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