8-Chloro-5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzothiazepin-3-Yl Acetate

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Formula C22H25ClN2O4S
IUPAC Name [(2s,3r)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Molecular Mass 448.963 g·mol−1
Heat of Formation -547.4 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 519.65 Å 3
Surface Area 417.2 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey GYKFWCDBQAFCLJ-SFTDATJTSA-N
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