(4As,4Bs,6As,7S,9As,9Bs,11Ar)-3-Fluoro-N-(1H-Imidazo[4,5-B]Pyridin-2-Ylmethyl)-1,4A,6A-Trimethyl-2-Oxo-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-Tetradecahydro-1H-Indeno[5,4-F]Quinoline-7-Carboxamide

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Formula C27H34FN5O2
IUPAC Name (1s,3as,3bs,5ar,9as,9bs,11as)-8-fluoro-n-(imidazo[4,5-b]pyridin-1-ium-2-ylium-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
Molecular Mass 479.590 g·mol−1
Heat of Formation -367.9 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 573.15 Å 3
Surface Area 437.38 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9as,9bs,11as)-8-fluoro-n-(1h-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
  • (1s,3as,3bs,5ar,9as,9bs,11as)-8-fluoro-n-(1h-imidazo[4,5-b]pyridin-2-ylmethyl)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1h-indeno[5,4-f]quinoline-1-carboxamide
InChIKey GBEUKTWTUSPHEE-JWJWXJQQSA-N
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