(3R,5R)-3-Butyl-3-Ethyl-7,8-Dimethoxy-5-Phenyl-2,3,4,5-Tetrahydro-1,4-Benzothiazepine 1,1-Dioxide

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Formula C23H31NO4S
IUPAC Name (3r,5r)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2h-1λ6,4-benzothiazepine 1,1-dioxide
Molecular Mass 417.562 g·mol−1
Heat of Formation -551.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 502.26 Å 3
Surface Area 417.82 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey CKFWDLFFXXVSBJ-DHIUTWEWSA-N
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