3,6-Diamino-5-Cyano-4-(4-Ethoxyphenyl)Thieno[2,3-B]Pyridine-2-Carboxamide

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Formula C17H15N5O2S
IUPAC Name 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular Mass 353.398 g·mol−1
Heat of Formation -11.3 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 393.29 Å 3
Surface Area 347.21 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)-2-thieno[4,5-e]pyridinecarboxamide
  • 3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[4,5-e]pyridine-2-carboxamide
  • oprea1_557416
  • oprea1_731549
InChIKey UOPQHPBCVYHSFF-UHFFFAOYSA-N
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