(2S)-2-(2-Fluorobenzyl)-3-(2'-Fluoro-4',5'-Dihydro-1H-Spiro[Piperidine-4,7'-Thieno[2,3-C]Pyran]-1-Yl)-N-(~11~C)Methylpropanamide

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Properties Simple | Detailed

Formula C22H26F2N2O2S
IUPAC Name (2s)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-n-methyl-propanamide
Molecular Mass 420.516 g·mol−1
Heat of Formation -585.0 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 486.84 Å 3
Surface Area 378.14 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey MZBCQWLYUQJXKA-GWDMYEQXSA-N
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