3-{1-[(4-Chlorophenyl)Sulfanyl]-4-Methyl-6-[2-(5-Phenyl-2-Pyridinyl)Ethyl]-4,5-Dihydro-1H-Pyrano[2,3,4-Cd]Indol-2-Yl}-2,2-Dimethylpropanoic Acid

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Properties Simple | Detailed

Formula C35H34ClN2O3S
IUPAC Name 3-{1-[(4-chlorophenyl)sulfanyl]-4-methyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]-4,5-dihydro-1h-pyrano[2,3,4-cd]indol-2-yl}-2,2-dimethylpropanoic acid
Molecular Mass 598.174 g·mol−1
Heat of Formation -188.9 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 705.0 Å 3
Surface Area 566.19 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey KFQLXKPMLIOPDQ-QFIPXVFZSA-N
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