N,N-Diethyl-5,5-Dimethyl-2-[(2-Thienylcarbonyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

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Formula C20H26N2O2S2
IUPAC Name n,n-diethyl-5,5-dimethyl-2-(thiophene-2-carbonylamino)-6,7-dihydro-4h-benzothiophene-3-carboxamide
Molecular Mass 390.563 g·mol−1
Heat of Formation -287.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 474.95 Å 3
Surface Area 378.55 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • k03
  • n,n-diethyl-5,5-dimethyl-2-(thiophene-2-carbonylamino)-6,7-dihydro-4h-1-benzothiophene-3-carboxamide
  • n,n-diethyl-5,5-dimethyl-2-[[oxo-(2-thienyl)methyl]amino]-6,7-dihydro-4h-benzothiophene-3-carboxamide
InChIKey BCQPPORYBRTCLZ-UHFFFAOYSA-N
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