Formula |
C32H31ClN6O3S |
IUPAC Name |
n-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridyl]oxy]-3-methyl-1-naphthyl]-2-chloro-benzenesulfonamide |
Molecular Mass |
615.145 g·mol−1 |
Heat of Formation |
-25.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.28 ± 1.08 D |
Volume |
704.5 Å 3 |
Surface Area |
570.02 Å 2 |
HOMO Energy |
-8.25 ± 0.55 eV |
LUMO Energy |
2.99 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VMXTWHCDROGRNY-HZCBDIJESA-N |
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Elements |
C
Cl
H
O
N
S
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