{4-[(5-Methoxy-2-{[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl}-1H-Benzimidazol-1-Yl)Sulfonyl]Phenoxy}Acetic Acid

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Properties Simple | Detailed

Formula C25H25N3O8S2
IUPAC Name 2-[4-[5-methoxy-2-[(r)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ium-1-yl]sulfonylphenoxy]acetic acid
Molecular Mass 559.611 g·mol−1
Heat of Formation -938.7 ± 16.7 kJ·mol−1
Dipole Moment 10.73 ± 1.08 D
Volume 609.77 Å 3
Surface Area 446.21 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey PPCGSVWOZKNPCX-DIPNUNPCSA-N
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