Formula |
C31H35N3O5S2 |
IUPAC Name |
n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl(cyclohexylmethyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide |
Molecular Mass |
593.757 g·mol−1 |
Heat of Formation |
-623.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.39 ± 1.08 D |
Volume |
702.44 Å 3 |
Surface Area |
498.77 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
2.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZALSSBYFYBCJII-URLMMPGGSA-N |
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Elements |
H
C
S
O
N
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