Formula |
C24H24N6OS |
IUPAC Name |
2-butyl-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one |
Molecular Mass |
444.552 g·mol−1 |
Heat of Formation |
845.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.34 ± 1.08 D |
Volume |
521.12 Å 3 |
Surface Area |
406.43 Å 2 |
HOMO Energy |
-7.71 ± 0.55 eV |
LUMO Energy |
-3.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XVQQFPQUAFOXRG-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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