N-{(2S,3R)-4-[(1,3-Benzothiazol-6-Ylsulfonyl)(3-Phenylpropyl)Amino]-3-Hydroxy-1-Phenyl-2-Butanyl}-3-Hydroxybenzamide

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Formula C33H33N3O5S2
IUPAC Name n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl(3-phenylpropyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide
Molecular Mass 615.762 g·mol−1
Heat of Formation -469.3 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 725.88 Å 3
Surface Area 532.22 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey OLPAULVXKPQQPH-IOWSJCHKSA-N
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