Formula |
C14H15Cl2N3OS |
IUPAC Name |
2-[(2r)-2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxy-propyl]-1h-1,2,4-triazole-3-thione |
Molecular Mass |
344.259 g·mol−1 |
Heat of Formation |
151.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.66 ± 1.08 D |
Volume |
369.93 Å 3 |
Surface Area |
291.74 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MNHVNIJQQRJYDH-CQSZACIVSA-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
|
|
|