2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfinyl}-6-(Trifluoromethyl)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H14F3N3O2S
IUPAC Name 2-[(r)-(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5-(trifluoromethyl)benzimidazol-3-ium
Molecular Mass 369.361 g·mol−1
Heat of Formation -624.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 392.24 Å 3
Surface Area 352.53 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey OWWKQFJLNQHYQS-RUZDIDTESA-N
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