Formula |
C29H30F6N6O6S |
IUPAC Name |
n-[(1s)-1-methylpropyl]-6-[(1r,3r,4r)-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-yl]pyridazine-3-carboxamide |
Molecular Mass |
704.641 g·mol−1 |
Heat of Formation |
-1994.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.48 ± 1.08 D |
Volume |
739.86 Å 3 |
Surface Area |
602.87 Å 2 |
HOMO Energy |
-9.25 ± 0.55 eV |
LUMO Energy |
-1.66 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SCTZCPJNKATZLO-MHECFPHRSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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