Formula |
C17H14ClF2N3O3S |
IUPAC Name |
n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-1-propanesulfonamide |
Molecular Mass |
413.826 g·mol−1 |
Heat of Formation |
-615.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.65 ± 1.08 D |
Volume |
426.33 Å 3 |
Surface Area |
379.79 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
-1.37 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YZDJQTHVDDOVHR-UHFFFAOYSA-O |
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Elements |
C
Cl
H
F
O
N
S
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