1-[4-[4-[4-(2-Ethoxyphenyl)Sulfanyl-3-Nitro-Phenyl]-3H-Pyridin-1-Ium-3-Id-6-Yl]Piperazin-1-Yl]Ethanone

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Formula C25H26N4O4S
IUPAC Name 1-[4-[4-[4-(2-ethoxyphenyl)sulfanyl-3-nitro-phenyl]-3h-pyridin-1-ium-3-id-6-yl]piperazin-1-yl]ethanone
Molecular Mass 478.563 g·mol−1
Heat of Formation -56.8 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 554.11 Å 3
Surface Area 455.82 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey DMYWMMGDMOATRV-UHFFFAOYSA-N
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