(2R)-2-(2-{(4S)-1-(4-Chlorobenzyl)-4-Methyl-6-[(5-Phenyl-2-Pyridinyl)Methoxy]-4,5-Dihydro-1H-Thiopyrano[2,3,4-Cd]Indol-2-Yl}Ethoxy)Butanoic Acid

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Properties Simple | Detailed

Formula C36H35ClN2O4S
IUPAC Name (2s)-2-[2-[(6s)-2-[(4-chlorophenyl)methyl]-6-methyl-9-[(5-phenyl-2-pyridyl)methoxy]-5-thia-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-3-yl]ethoxy]butanoic acid
Molecular Mass 627.192 g·mol−1
Heat of Formation -376.8 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 728.87 Å 3
Surface Area 500.68 Å 2
HOMO Energy -7.46 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey JCBSPQXPBDDSEZ-UDNBHOFDSA-N
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