Formula |
C20H25ClN4O3S |
IUPAC Name |
n-(4-chlorophenyl)-n'-[(s)-[5-(2-hydroxyethyl)-4-methyl-thiazol-2-yl]-[(2s)-2-piperidyl]methyl]oxamide |
Molecular Mass |
436.956 g·mol−1 |
Heat of Formation |
-409.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.03 ± 1.08 D |
Volume |
500.6 Å 3 |
Surface Area |
443.78 Å 2 |
HOMO Energy |
-9.15 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CXKXTRRHRJSSBG-RDJZCZTQSA-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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