3-{2-[(S)-(4-Cyanophenyl)(Hydroxy)(1-Methyl-1H-Imidazol-5-Yl)Methyl]-5-Nitro-1-Benzofuran-7-Yl}Benzonitrile

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Formula C27H18N5O4
IUPAC Name 3-[2-[(s)-(4-cyanophenyl)-hydroxy-(3-methylimidazol-1-ium-4-id-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile
Molecular Mass 476.463 g·mol−1
Heat of Formation 429.4 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 540.71 Å 3
Surface Area 430.08 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey NYEPLLLECMESPU-MHZLTWQESA-N
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