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 1-[6-[(r)-(4,5-diphenyl-1h-imidazol-3-ium-5-id-2-yl)sulfinyl]hexyl]-3,5-dimethyl-pyrazol-1-ium-5-ylium
Molecular Mass 446.608 g·mol−1
Heat of Formation 233.6 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 547.23 Å 3
Surface Area 450.55 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey TVSPJKIQOPZAPE-YTTGMZPUSA-N
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