Formula |
C20H26N6O4S3 |
IUPAC Name |
n-[2-[5-[4-[(1r)-1-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]-5-methyl-thiazol-2-yl]-2-methoxy-phenoxy]ethyl]methanesulfonamide |
Molecular Mass |
510.653 g·mol−1 |
Heat of Formation |
-392.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.79 ± 1.08 D |
Volume |
565.06 Å 3 |
Surface Area |
480.64 Å 2 |
HOMO Energy |
-8.29 ± 0.55 eV |
LUMO Energy |
-0.71 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MBPWFMBRNJJXFY-GFCCVEGCSA-N |
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Elements |
H
C
S
O
N
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