Formula |
C21H28N6O4S3 |
IUPAC Name |
n-[2-[5-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-thiazol-2-yl]-2-methoxy-phenoxy]ethyl]methanesulfonamide |
Molecular Mass |
524.680 g·mol−1 |
Heat of Formation |
-398.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.35 ± 1.08 D |
Volume |
589.13 Å 3 |
Surface Area |
511.04 Å 2 |
HOMO Energy |
-8.36 ± 0.55 eV |
LUMO Energy |
-0.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VWMTUHOSEYDVPP-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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