(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
Properties
Property | Value |
---|---|
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-(111c)methyl-propanamide |
Molecular Mass | 419.517 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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |