Formula |
C21H27N5O4S2 |
IUPAC Name |
2-[4-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-thiazol-2-yl]-2-(2-hydroxyethoxy)phenoxy]ethanol |
Molecular Mass |
477.600 g·mol−1 |
Heat of Formation |
-429.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.59 ± 1.08 D |
Volume |
549.89 Å 3 |
Surface Area |
484.64 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
2.08 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SVAHOUYXRPNIPY-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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