Isotianil

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Properties Simple | Detailed

Formula C11H5Cl2N3OS
IUPAC Name 3,4-dichloro-n-(2-cyanophenyl)isothiazole-5-carboxamide
Molecular Mass 298.148 g·mol−1
Heat of Formation 194.6 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 301.77 Å 3
Surface Area 275.48 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dichloro-n-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
  • 3,4-dichloro-n-(2-cyanophenyl)-5-isothiazolecarboxamide
  • 3,4-dichloro-n-(2-cyanophenyl)isothiazole-5-carboxamide
InChIKey WLPCAERCXQSYLQ-UHFFFAOYSA-N
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