5-Chloro-N-[(1R,2S)-2-{[4-(2-Oxo-1(2H)-Pyridinyl)Benzoyl]Amino}Cyclopentyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C22H20ClN3O3S+
IUPAC Name 5-chloro-n-[(1r,2s)-2-[[4-(2-oxo-3h-pyridin-1-ium-3-id-1-yl)benzoyl]amino]cyclopentyl]thiophen-1-ium-5-ylium-2-carboxamide
Molecular Mass 441.931 g·mol−1
Heat of Formation -249.4 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 494.67 Å 3
Surface Area 402.18 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 5
  • e
  • m
InChIKey QCPYHSAHOYXXQK-DLBZAZTESA-N
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