2-{3,5-Dichloro-4-[(S)-(4-Chlorophenyl)(2-Pyrimidinylsulfanyl)Methyl]Phenyl}-1,2,4-Triazine-3,5(2H,4H)-Dione
Properties
Property | Value |
---|---|
Formula | C20H12Cl3N5O2S |
IUPAC Name | 2-[3,5-dichloro-4-[(s)-(4-chlorophenyl)-pyrimidin-2-ylsulfanylmethyl]phenyl]-1,2,4-triazine-3,5-dione |
Molecular Mass | 492.766 g·mol−1 |
Heat of Formation | 83.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.88 ± 1.08 D |
Volume | 495.31 Å 3 |
Surface Area | 412.95 Å 2 |
HOMO Energy | -9.07 ± 0.55 eV |
LUMO Energy | 1.58 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ZIINGZAGLUOHRR-SFHVURJKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |