2-[4-[(3-Nitropyridin-1-Ium-3-Id-2-Yl)Sulfanyloxymethyl]Phenyl]Acetic Acid

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Formula C14H13N2O5S
IUPAC Name 2-[4-[(3-nitropyridin-1-ium-3-id-2-yl)sulfanyloxymethyl]phenyl]acetic acid
Molecular Mass 321.328 g·mol−1
Heat of Formation -289.9 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 348.61 Å 3
Surface Area 316.48 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
InChIKey XGSTXBKBAQRWGA-UHFFFAOYSA-N
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