[(2S,3S)-5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] 4-Azidobutanoate

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Formula C24H30N5O4S
IUPAC Name [(2s,3s)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-azidobutanoate
Molecular Mass 484.591 g·mol−1
Heat of Formation -220.8 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 572.92 Å 3
Surface Area 446.06 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey KEDNHAQLYOKECC-PKTZIBPZSA-N
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