Formula |
C22H20N6O2S |
IUPAC Name |
n-[3-[[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridyl]-n-methyl-methanesulfonamide |
Molecular Mass |
432.498 g·mol−1 |
Heat of Formation |
201.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.43 ± 1.08 D |
Volume |
492.56 Å 3 |
Surface Area |
414.58 Å 2 |
HOMO Energy |
-8.32 ± 0.55 eV |
LUMO Energy |
2.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IFWXGGDEGREJOB-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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