4-Methyl-N-[4-(4-Nitroanilino)Phenyl]-4-Oxido-Piperazin-4-Ium-1-Carbothioamide

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Properties Simple | Detailed

Formula C18H22N5O3S+
IUPAC Name 4-methyl-n-[4-(4-nitroanilino)phenyl]-4-oxido-piperazin-4-ium-1-carbothioamide
Molecular Mass 388.464 g·mol−1
Heat of Formation 286.2 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 449.14 Å 3
Surface Area 383.25 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey IKKBZJIWXSSXIX-UHFFFAOYSA-O
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