Formula |
C17H17Cl3N4O2S2 |
IUPAC Name |
n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-[(2,3,6-trichlorophenyl)methylene]thiazolidin-3-yl]acetamide |
Molecular Mass |
479.831 g·mol−1 |
Heat of Formation |
-30.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.37 ± 1.08 D |
Volume |
501.52 Å 3 |
Surface Area |
421.91 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
1.26 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GTHJLNHVDYJCCB-JYRVWZFOSA-N |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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