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

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Properties Simple | Detailed

Formula C18H19ClN4O3S
IUPAC Name 4-[3-chloro-2-[[(s)-(5-methoxybenzimidazol-3-ium-2-ylium-2-yl)sulfinyl]methyl]-4-pyridyl]morpholine
Molecular Mass 406.886 g·mol−1
Heat of Formation -122.9 ± 16.7 kJ·mol−1
Dipole Moment 1.04 ± 1.08 D
Volume 442.9 Å 3
Surface Area 388.41 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey OGHHMBMLUJWHGH-MHZLTWQESA-N
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