Formula |
C19H20ClN3O5S |
IUPAC Name |
(2r,4s)-2-[(1r)-1-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid |
Molecular Mass |
437.897 g·mol−1 |
Heat of Formation |
-570.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.31 ± 1.08 D |
Volume |
497.65 Å 3 |
Surface Area |
385.8 Å 2 |
HOMO Energy |
-9.10 ± 0.55 eV |
LUMO Energy |
-0.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DMRXQBXKFQMOBD-ISTRZQFTSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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