Formula |
C19H23ClN4O3S |
IUPAC Name |
n-(4-chlorophenyl)-n'-[(s)-[5-(hydroxymethyl)-4-methyl-thiazol-2-yl]-[(2s)-2-piperidyl]methyl]oxamide |
Molecular Mass |
422.929 g·mol−1 |
Heat of Formation |
-389.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.38 ± 1.08 D |
Volume |
478.11 Å 3 |
Surface Area |
424.41 Å 2 |
HOMO Energy |
-9.16 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XEDSYSDQIUMILN-HOCLYGCPSA-N |
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Elements |
C
Cl
H
O
N
S
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