Formula |
C17H17ClF3N5OS |
IUPAC Name |
4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-n-(4-methoxy-2-pyridyl)piperazine-1-carbothioamide |
Molecular Mass |
431.863 g·mol−1 |
Heat of Formation |
-486.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.59 ± 1.08 D |
Volume |
456.38 Å 3 |
Surface Area |
391.35 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
1.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AIKZMHUYNNXENU-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
S
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