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

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Formula C27H28N5O4S
IUPAC Name [(2s,3s)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-azidobenzoate
Molecular Mass 518.607 g·mol−1
Heat of Formation -39.1 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 610.53 Å 3
Surface Area 473.29 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey ONRQMOWENZEMPY-RPBOFIJWSA-N
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