1-{6-[(4,5-Diphenyl-1H-Imidazol-2-Yl)Sulfinyl]Hexyl}-3,5-Dimethyl-1H-Pyrazole

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Properties Simple | Detailed

Formula C26H30N4OS
IUPAC Name 6-(3,5-dimethylpyrazol-1-yl)hexyl-(4,5-diphenyl-1h-imidazol-2-yl)-hydroxy-sulfonium
Molecular Mass 446.608 g·mol−1
Heat of Formation 4583.4 ± 16.7 kJ·mol−1
Dipole Moment 12.28 ± 1.08 D
Volume 414.73 Å 3
Surface Area 364.72 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -2.68 ± eV
Point Group Symmetry C1
InChIKey TVSPJKIQOPZAPE-JGCGQSQUSA-N
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