N,N-Dibutyl-4-Chloro-1-[2-(3,4-Dihydro-2(1H)-Isoquinolinylcarbonyl)-4-{[(7-Iodo-2-Naphthyl)Sulfonyl]Carbamoyl}Phenyl]-5-Methyl-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

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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