7-(6,7-Dimethoxy-3,4-Dihydro-2(1H)-Isoquinolinyl)-2-(3,4-Dimethoxyphenyl)-2-[(4-Methylphenyl)Sulfanyl]Heptanenitrile

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Formula C33H40N2O4S
IUPAC Name (2s)-7-[(2s)-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl]-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile
Molecular Mass 560.747 g·mol−1
Heat of Formation -328.3 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 705.76 Å 3
Surface Area 564.87 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey HLOQUFKUYZBZLI-MGBGTMOVSA-N
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