6-Cyclohexyl-4-Methyl-5-Phenyl-4H-Thieno[3,2-B]Pyrrole-2-Carboxylic Acid

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Formula C20H21NO2S
IUPAC Name 6-cyclohexyl-4-methyl-5-phenyl-thieno[3,2-b]pyrrole-1,4-diium-2-carboxylic acid
Molecular Mass 339.451 g·mol−1
Heat of Formation -174.5 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 408.05 Å 3
Surface Area 347.06 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 6-cyclohexyl-4-methyl-5-phenyl-2-thieno[4,5-b]pyrrolecarboxylic acid
  • 6-cyclohexyl-4-methyl-5-phenyl-thieno[4,5-b]pyrrole-2-carboxylic acid
  • 6-cyclohexyl-4-methyl-5-phenylthieno[4,5-b]pyrrole-2-carboxylic acid
InChIKey BNIGSPMLDODEAJ-UHFFFAOYSA-N
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