Formula |
C21H27N3O3S |
IUPAC Name |
(2s,4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[(4-thiazol-5-ylphenyl)methyl]pyrrolidine-2-carboxamide |
Molecular Mass |
401.522 g·mol−1 |
Heat of Formation |
-441.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.56 ± 1.08 D |
Volume |
489.9 Å 3 |
Surface Area |
414.58 Å 2 |
HOMO Energy |
-9.46 ± 0.55 eV |
LUMO Energy |
2.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZFCSIIZHOAAIJZ-SJORKVTESA-N |
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Elements |
H
C
S
O
N
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