N-[[4-(3,5-Difluorocyclohexyl)Sulfonylcyclohexyl]Methyl]-1,2,3,5,7,8-Hexahydroindolizine-1,2,3,5,6,7,8,8A-Octaide-6-Carboxamide
Properties
Property | Value |
---|---|
Formula | C22H37F2N2O3S+ |
IUPAC Name | n-[[4-(3,5-difluorocyclohexyl)sulfonylcyclohexyl]methyl]-1,2,3,5,7,8-hexahydroindolizine-1,2,3,5,6,7,8,8a-octaide-6-carboxamide |
Molecular Mass | 447.603 g·mol−1 |
Heat of Formation | -449.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.22 ± 1.08 D |
Volume | 462.95 Å 3 |
Surface Area | 414.43 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | -1.53 ± eV |
Point Group Symmetry | Cs |
InChIKey | RLQUENNWULPFCU-UHFFFAOYSA-O |
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Elements | C F H O N S |