5-Chloro-N-(2-{[4-(2-Oxo-1(2H)-Pyridinyl)Benzoyl]Amino}Ethyl)-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C19H16ClN3O3S+
IUPAC Name 2-chloro-n-[2-[[4-(2-oxo-3h-pyridin-1-ium-3-id-1-yl)benzoyl]amino]ethyl]-3h-thiophen-1-ium-3-ide-5-carboxamide
Molecular Mass 401.867 g·mol−1
Heat of Formation -212.4 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 443.2 Å 3
Surface Area 394.5 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[2-[[4-(2-keto-1-pyridyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
  • 5-chloro-n-[2-[[4-(2-oxo-1-pyridyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
  • 5-chloro-n-[2-[[4-(2-oxopyridin-1-yl)phenyl]carbonylamino]ethyl]thiophene-2-carboxamide
  • 5-chloro-n-[2-[[oxo-[4-(2-oxo-1-pyridyl)phenyl]methyl]amino]ethyl]-2-thiophenecarboxamide
  • me1
InChIKey UCKHUNHXYMAFQM-UHFFFAOYSA-N
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