Methyl 6-Methyl-2-[[(3-Methyl-2-Pyridyl)Methyl]Sulfinyl]-5-Benzimidazolecarboxylate

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Properties Simple | Detailed

Formula C17H17N3O3S
IUPAC Name methyl 6-methyl-2-[(r)-(3-methyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ium-5-carboxylate
Molecular Mass 343.400 g·mol−1
Heat of Formation -200.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 388.45 Å 3
Surface Area 346.7 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey ASSMECARUIRCML-XMMPIXPASA-N
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