N-{4-[(3,5-Difluorophenyl)Sulfonyl]Benzyl}-7-Indolizinecarboxamide

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Properties Simple | Detailed

Formula C22H16F2N2O3S
IUPAC Name n-[[4-(3,5-difluorocyclohexyl)sulfonylcyclohexyl]methyl]-1,2,3,5,6,8-hexahydroindolizine-1,2,3,5,6,7,8,8a-octaide-7-carboxamide
Molecular Mass 426.436 g·mol−1
Heat of Formation -457.8 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 467.96 Å 3
Surface Area 404.49 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey XVCMNEXVVACQMR-UHFFFAOYSA-N
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