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

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Properties Simple | Detailed

Formula C29H33N3O5S2
IUPAC Name n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide
Molecular Mass 567.719 g·mol−1
Heat of Formation -597.8 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 669.29 Å 3
Surface Area 531.84 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey OIOKJSPMDFSKEA-SQMFLSJESA-N
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