Formula |
C18H17ClN4OS |
IUPAC Name |
(6s)-2-amino-6-[3-chloro-5-(5-prop-1-ynyl-3-pyridyl)-2-thienyl]-3,6-dimethyl-5h-pyrimidin-4-one |
Molecular Mass |
372.872 g·mol−1 |
Heat of Formation |
264.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.94 ± 1.08 D |
Volume |
417.31 Å 3 |
Surface Area |
360.23 Å 2 |
HOMO Energy |
-9.37 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IJYPXSRDUPWKPB-SFHVURJKSA-N |
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Elements |
C
Cl
H
O
N
S
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