2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfinyl}-5,5,7,7-Tetramethyl-5,7-Dihydroindeno[5,6-D]Imidazol-6(1H)-One

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Properties Simple | Detailed

Formula C22H25N3O3S
IUPAC Name 2-[(r)-(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5,5,7,7-tetramethyl-cyclopenta[f]benzimidazol-3-ium-6-one
Molecular Mass 411.517 g·mol−1
Heat of Formation -258.9 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 485.47 Å 3
Surface Area 410.02 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey YBCJDBBYBFMVEG-GDLZYMKVSA-N
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