Hesperadin

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Properties Simple | Detailed

Formula C26H19N4O3S
IUPAC Name [4-ethynyl-2-oxo-3-[4-(2h-pyridin-1-ylmethyl)anilino]-6h-benzo[cd]indol-1-ium-6-yl]-methylidyne-ammonium; sulfur dioxide
Molecular Mass 467.519 g·mol−1
Heat of Formation -220.8 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 618.25 Å 3
Surface Area 476.73 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3z)-2-keto-3-[phenyl-[[4-(piperidinomethyl)phenyl]amino]methylene]indolin-5-yl]ethanesulfonamide
  • n-[(3z)-2-oxo-3-[phenyl-[[4-(1-piperidylmethyl)phenyl]amino]methylene]-5-indolinyl]ethanesulfonamide
  • n-[(3z)-2-oxo-3-[phenyl-[[4-(1-piperidylmethyl)phenyl]amino]methylene]indolin-5-yl]ethanesulfonamide
  • n-[(3z)-2-oxo-3-[phenyl-[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-1h-indol-5-yl]ethanesulfonamide
InChIKey GLDSKRNGVVYJAB-DQSJHHFOSA-N
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