Formula |
C22H29N3O3S |
IUPAC Name |
(2s,4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[(3-methyl-4-thiazol-5-yl-phenyl)methyl]pyrrolidine-2-carboxamide |
Molecular Mass |
415.549 g·mol−1 |
Heat of Formation |
-481.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.95 ± 1.08 D |
Volume |
514.8 Å 3 |
Surface Area |
433.55 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QBAUKFDDQIMOAJ-AEFFLSMTSA-N |
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Elements |
H
C
S
O
N
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