4-(4-Fluorobenzyl)-2-(4-Methylphenyl)-1,2,4-Thiadiazolane-3,5-Dione

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Properties Simple | Detailed

Formula C16H13FN2O2S
IUPAC Name 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
Molecular Mass 316.350 g·mol−1
Heat of Formation -302.7 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 350.72 Å 3
Surface Area 316.0 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-fluorobenzyl)-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-quinone
  • oprea1_536155
  • sr-01000639423-1
InChIKey QUIIIYITNGOFEI-UHFFFAOYSA-N
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