(3Z,6Z)-3-Benzylidene-6-[(5-{[2-(Dimethylamino)Ethyl]Sulfanyl}-2-Thienyl)Methylene]-2,5-Piperazinedione

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Formula C20H21N3O2S2
IUPAC Name (3z,6z)-3-benzylidene-6-[[5-[2-(dimethylamino)ethylsulfanyl]-2-thienyl]methylene]piperazine-2,5-dione
Molecular Mass 399.530 g·mol−1
Heat of Formation 14.9 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 464.89 Å 3
Surface Area 421.68 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,6z)-3-(benzylidene)-6-[[5-(2-dimethylaminoethylthio)-2-thienyl]methylene]piperazine-2,5-quinone
  • (3z,6z)-3-[[5-(2-dimethylaminoethylsulfanyl)-2-thienyl]methylene]-6-(phenylmethylene)piperazine-2,5-dione
  • (3z,6z)-3-[[5-(2-dimethylaminoethylthio)-2-thienyl]methylene]-6-(phenylmethylene)piperazine-2,5-dione
InChIKey ODQGWMYUSNRXFW-MCOFMCJXSA-N
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