(3E,6Z)-3-Benzylidene-6-(4-{[2-(Dimethylamino)Ethyl]Sulfanyl}Benzylidene)-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C22H23N3O2S
IUPAC Name (3e,6z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethylsulfanyl]phenyl]methylene]piperazine-2,5-dione
Molecular Mass 393.502 g·mol−1
Heat of Formation 9.8 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 476.1 Å 3
Surface Area 425.34 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,6z)-3-(benzylidene)-6-[4-(2-dimethylaminoethylthio)benzylidene]piperazine-2,5-quinone
  • (3z,6e)-3-[[4-(2-dimethylaminoethylsulfanyl)phenyl]methylene]-6-(phenylmethylene)piperazine-2,5-dione
  • (3z,6e)-3-[[4-(2-dimethylaminoethylthio)phenyl]methylene]-6-(phenylmethylene)piperazine-2,5-dione
  • 3-((4-((2-(dimethylamino)ethyl)thio)phenyl)methylene)-6-(phenylmethylene)-2,5-piperazinedione
  • xr 5082
  • xr-5082
CAS Number(s)
  • 174849-68-4
InChIKey RYRKPESQGOEIQY-WOBBTWAASA-N
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