Formula |
C25H24N4OS |
IUPAC Name |
(1s,2s)-2-[4-[(dimethylamino)methyl]phenyl]-n-[6-(3-pyridyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide |
Molecular Mass |
428.549 g·mol−1 |
Heat of Formation |
359.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.87 ± 1.08 D |
Volume |
518.11 Å 3 |
Surface Area |
461.35 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PGABPPHMLFSKKA-RTWAWAEBSA-N |
QR Code |
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Elements |
H
C
S
O
N
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