Formula |
C29H40N4O5S2 |
IUPAC Name |
2-acetamido-n-[3-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-butanamide |
Molecular Mass |
588.782 g·mol−1 |
Heat of Formation |
-813.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.50 ± 1.08 D |
Volume |
713.26 Å 3 |
Surface Area |
564.27 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
-1.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KSHUKVXBNWNYNR-REUBFRLUSA-N |
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Elements |
H
S
C
O
N
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