6-Ethyl-N-[1-(2-Hydroxyacetyl)-4-Piperidyl]-1-Methyl-4-Oxo-5-Phenacyl-3-(2,2,2-Trifluoroethoxy)-7H-Pyrrolo[3,2-C]Pyridine-2,3,3A,6,7,7A-Hexaide-2-Carboxamide

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Properties Simple | Detailed

Formula C28H37F3N4O6
IUPAC Name 6-ethyl-n-[1-(2-hydroxyacetyl)-4-piperidyl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)-7h-pyrrolo[3,2-c]pyridine-2,3,3a,6,7,7a-hexaide-2-carboxamide
Molecular Mass 582.612 g·mol−1
Heat of Formation -1516.7 ± 16.7 kJ·mol−1
Dipole Moment 11.97 ± 1.08 D
Volume 645.4 Å 3
Surface Area 522.48 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey WISUBPWDCKFCOO-UHFFFAOYSA-O
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