Formula |
C18H19ClN2O7S |
IUPAC Name |
6-[2-[5-chloro-4-[(2s)-2,3-dihydroxypropoxy]-2-methoxy-anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid |
Molecular Mass |
442.871 g·mol−1 |
Heat of Formation |
-1050.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.78 ± 1.08 D |
Volume |
478.04 Å 3 |
Surface Area |
437.46 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-1.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JUOFKXYNMCCWAA-NSHDSACASA-N |
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Elements |
C
Cl
H
O
N
S
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