Formula |
C40H41ClIN5O5S |
IUPAC Name |
n,n-dibutyl-4-chloro-1-[2-(3,4-dihydro-1h-isoquinoline-2-carbonyl)-4-[(7-iodo-2-naphthyl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide |
Molecular Mass |
866.207 g·mol−1 |
Heat of Formation |
-433.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.46 ± 1.08 D |
Volume |
908.37 Å 3 |
Surface Area |
666.86 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
-1.45 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DKJBPPVETUSFTM-UHFFFAOYSA-N |
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Elements |
C
Cl
I
H
O
N
S
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