Methyl [1-(Butylcarbamoyl)-5-(Phenylsulfinyl)-1H-Benzimidazol-2-Yl]Carbamate

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Properties Simple | Detailed

Formula C20H22N4O4S
IUPAC Name methyl n-[1-(butylcarbamoyl)-5-[(r)-phenylsulfinyl]benzimidazol-1-ium-2-yl]carbamate
Molecular Mass 414.478 g·mol−1
Heat of Formation -351.3 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 473.06 Å 3
Surface Area 423.93 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey XAYHPUMQAHCXBN-GDLZYMKVSA-N
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