3-{2-[(4-Sulfamoylphenyl)Amino]-4-Pyrimidinyl}-1H-Imidazo[1,2-A]Pyridin-4-Ium

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Properties Simple | Detailed

Formula C17H16N6O2S+
IUPAC Name 4-[[4-(8h-imidazo[1,2-a]pyridine-1,4-diium-3,8-diid-3-yl)-5h-pyrimidine-1,3-diium-5-id-2-yl]amino]benzenesulfonamide
Molecular Mass 368.413 g·mol−1
Heat of Formation 208.7 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 393.3 Å 3
Surface Area 361.52 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[4-(1h-imidazo[3,2-a]pyridin-4-ium-3-yl)-2-pyrimidinyl]amino]benzenesulfonamide
  • 4-[[4-(1h-imidazo[3,2-a]pyridin-4-ium-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
InChIKey AYVFYAHVEWDRBK-UHFFFAOYSA-O
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