Formula |
C26H34N6O2S |
IUPAC Name |
n-[1-tert-butyl-3-[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrazolo[3,4-d]thiazol-5-yl]-4-methyl-benzamide |
Molecular Mass |
494.652 g·mol−1 |
Heat of Formation |
-4.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.72 ± 1.08 D |
Volume |
607.56 Å 3 |
Surface Area |
516.25 Å 2 |
HOMO Energy |
-8.49 ± 0.55 eV |
LUMO Energy |
2.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GJBQMIZKUFMWPV-IBGZPJMESA-N |
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Elements |
H
S
C
O
N
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