Formula |
C27H33N7O3S |
IUPAC Name |
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-n-[4-(pyrrolidin-1-ylmethyl)-3-pyridyl]pyridine-3-carboxamide |
Molecular Mass |
535.661 g·mol−1 |
Heat of Formation |
-166.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.48 ± 1.08 D |
Volume |
633.56 Å 3 |
Surface Area |
512.74 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
2.12 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CWMNDXXSBKRROR-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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