N-[(3S)-2-Oxo-1-(1H-Pyrrolo[2,3-C]Pyridin-2-Ylmethyl)-3-Pyrrolidinyl]Thieno[3,2-B]Pyridine-2-Sulfonamide

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Properties Simple | Detailed

Formula C19H17N5O3S2
IUPAC Name n-[(3s)-2-oxo-1-(7h-pyrrolo[2,3-c]pyridin-1-ium-7-ylium-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
Molecular Mass 427.500 g·mol−1
Heat of Formation -65.4 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 467.45 Å 3
Surface Area 370.72 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s)-2-keto-1-(1h-pyrrolo[5,4-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[4,5-b]pyridine-2-sulfonamide
  • n-[(3s)-2-oxo-1-(1h-pyrrolo[5,4-c]pyridin-2-ylmethyl)-3-pyrrolidinyl]-2-thieno[4,5-b]pyridinesulfonamide
  • pr2
  • rpr208707
  • thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide
InChIKey PLXOQMHGHDZMSX-AWEZNQCLSA-N
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