2-(1,3-Benzodioxol-5-Yl)-5-[(3-Fluoro-4-Methoxybenzyl)Sulfanyl]-1,3,4-Oxadiazole

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Properties Simple | Detailed

Formula C17H13FN2O4S
IUPAC Name 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole
Molecular Mass 360.360 g·mol−1
Heat of Formation -333.4 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 384.67 Å 3
Surface Area 357.73 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • t5257506
InChIKey TUTZKAQTSPMEBI-UHFFFAOYSA-N
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