(2S)-3-[2-(3,4-Dimethoxyphenyl)-1,3-Dithian-2-Yl]-N-[2-(3,4-Dimethoxyphenyl)Ethyl]-N,2-Dimethyl-1-Propanamine

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Formula C27H39NO4S2
IUPAC Name (2s)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-n-[2-(3,4-dimethoxyphenyl)ethyl]-n,2-dimethyl-propan-1-amine
Molecular Mass 505.733 g·mol−1
Heat of Formation -527.8 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 626.97 Å 3
Surface Area 459.89 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-n-[2-(3,4-dimethoxyphenyl)ethyl]-n,2-dimethyl-propan-1-amine
  • (2s)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-n-[2-(3,4-dimethoxyphenyl)ethyl]-n,2-dimethylpropan-1-amine
  • 1,3-dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-n-(2-(3,4-dimethoxyphenyl)ethyl)-n,beta-dimethyl-, (s)-
  • [(2s)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-2-methyl-propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-amine
  • ro 44-5912
CAS Number(s)
  • 168037-93-2
InChIKey MVSRAALPTQIRFB-FQEVSTJZSA-N
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