(2R,3R)-7-(Methylsulfonyl)-3-(2,4,5-Trifluorophenyl)-1,2,3,4-Tetrahydropyrido[1,2-A]Benzimidazol-2-Amine

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Properties Simple | Detailed

Formula C18H16F3N3O2S
IUPAC Name (2r,3r)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-10-ium-4a-ylium-2-amine
Molecular Mass 395.399 g·mol−1
Heat of Formation -614.7 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 419.01 Å 3
Surface Area 363.56 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,6-a]benzimidazol-2-amine
  • [(2r,3r)-7-mesyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,6-a]benzimidazol-2-yl]amine
InChIKey HJJAYSSCWGUPKO-ABAIWWIYSA-N
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