6-[(2-{[5-Chloro-4-(2,3-Dihydroxypropoxy)-2-Methoxyphenyl]Amino}-2-Oxoethyl)Sulfanyl]Nicotinic Acid

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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