2-Chloro-N-[(3S)-1-{2-[(2-Hydroxyethyl)Amino]-2-Oxoethyl}-2-Oxo-1,2,3,4-Tetrahydro-3-Quinolinyl]-6H-Thieno[2,3-B]Pyrrole-5-Carboxamide

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Properties Simple | Detailed

Formula C20H19ClN4O4S
IUPAC Name 2-chloro-n-[(3s)-1-[2-(2-hydroxyethylamino)-2-oxo-ethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4h-thieno[2,3-b]pyrrol-6-ium-4-ide-5-carboxamide
Molecular Mass 446.907 g·mol−1
Heat of Formation -413.4 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 482.7 Å 3
Surface Area 431.36 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-n-[(3s)-1-[2-(2-hydroxyethylamino)-2-keto-ethyl]-2-keto-3,4-dihydroquinolin-3-yl]-6h-thieno[3,2-d]pyrrole-5-carboxamide
  • 2-chloro-n-[(3s)-1-[2-(2-hydroxyethylamino)-2-oxo-ethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6h-thieno[3,2-d]pyrrole-5-carboxamide
  • 2-chloro-n-[(3s)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6h-thieno[3,2-d]pyrrole-5-carboxamide
  • frx
InChIKey VUKPNWLGSLOHIF-AWEZNQCLSA-N
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