2-(4-Chlorophenyl)-1,4-Dihydrothiochromeno[4,3-C]Pyrazol-3(2H)-One

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Properties Simple | Detailed

Formula C16H11ClN2OS
IUPAC Name 2-(4-chlorophenyl)-4h-thiochromeno[4,3-c]pyrazole-1,2-diium-3-one
Molecular Mass 314.789 g·mol−1
Heat of Formation 204.7 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 339.97 Å 3
Surface Area 305.39 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • cp-17193
InChIKey JUINMUAIPTYUBI-UHFFFAOYSA-N
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