Formula |
C27H28N4S |
IUPAC Name |
n-[[3-[3-[[(5s)-6,7-dihydro-4h-thiazolo[5,4-c]pyridin-5-yl]methyl]phenyl]phenyl]methyl]-2-(3-pyridyl)ethanamine |
Molecular Mass |
440.603 g·mol−1 |
Heat of Formation |
490.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.41 ± 1.08 D |
Volume |
544.71 Å 3 |
Surface Area |
483.3 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
1.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WPEZKMWVHQXQCY-UHFFFAOYSA-N |
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Elements |
H
C
S
N
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