(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 (3e,5e)-3,5-bis[(4-nitrophenyl)methylene]-1,1-dioxo-thian-4-one
Molecular Mass 414.389 g·mol−1
Heat of Formation -224.0 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 447.24 Å 3
Surface Area 335.12 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-bis(4-(hydroxy(oxido)amino)benzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide
  • 4h-thiopyran-4-one, {tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-,} 1,1-dioxide
InChIKey SSAMIOWVUGBIJK-VULZFCBJSA-N
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