(3E,5E)-3,5-Bis(4-Nitrobenzylidene)Tetrahydro-4H-Thiopyran-4-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C19H14N2O7S
IUPAC Name (3z,5z)-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-thian-4-one
Molecular Mass 414.389 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 438.78 Å 3
Surface Area 379.92 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry Cs
Synonyms
  • (3z,5z)-1,1-diketo-3,5-bis(4-nitrobenzylidene)thian-4-one
  • (3z,5z)-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-4-thianone
  • (3z,5z)-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-thian-4-one
  • (3z,5z)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxo-thian-4-one
  • (3z,5z)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
  • 1,1-diketo-3,5-bis(4-nitrobenzylidene)thian-4-one
  • 3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-4-thianone
  • 3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-thian-4-one
  • 3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxo-thian-4-one
  • 3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
  • 4h-thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-, 1,1-dioxide
InChIKey SSAMIOWVUGBIJK-KAVGSWPWSA-N
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