Formula |
C26H27ClN6O3S |
IUPAC Name |
[(2r)-4-[(5-chloro-1h-indol-2-yl)sulfonyl]-2-isobutyl-piperazin-1-yl]-[5-(4-pyridyl)pyrimidin-2-yl]methanone |
Molecular Mass |
539.049 g·mol−1 |
Heat of Formation |
-81.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.24 ± 1.08 D |
Volume |
605.03 Å 3 |
Surface Area |
487.31 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
1.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JUUFKVAFKAKWRV-JOCHJYFZSA-N |
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Elements |
C
Cl
H
O
N
S
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