Formula |
C20H23N5O3S |
IUPAC Name |
methyl n-[[3-[4-(4-hydroxy-1-piperidyl)-2-phenyl-thiazol-5-yl]-1h-pyrazol-5-yl]methyl]carbamate |
Molecular Mass |
413.493 g·mol−1 |
Heat of Formation |
-152.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.20 ± 1.08 D |
Volume |
479.9 Å 3 |
Surface Area |
425.6 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
1.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GFUMDRBVYNGSBP-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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