Formula |
C28H36N4O6S2 |
IUPAC Name |
[(2s)-5-oxopyrrolidin-2-yl]methyl n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate |
Molecular Mass |
588.739 g·mol−1 |
Heat of Formation |
-927.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.13 ± 1.08 D |
Volume |
682.42 Å 3 |
Surface Area |
537.48 Å 2 |
HOMO Energy |
-9.21 ± 0.55 eV |
LUMO Energy |
-1.64 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CNYNOTFCYHOHBF-DFFQVNEFSA-N |
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Elements |
H
C
S
O
N
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