(1S,2R)-1-(2,3-Dihydro-1-Benzothiophen-5-Yl)-2-[(4-Phenylbutyl)Amino]-1-Propanol
Properties
Property | Value |
---|---|
Formula | C21H27NOS |
IUPAC Name | (1s,2r)-1-(2,3-dihydrobenzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol |
Molecular Mass | 341.510 g·mol−1 |
Heat of Formation | -114.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.57 ± 1.08 D |
Volume | 446.04 Å 3 |
Surface Area | 335.27 Å 2 |
HOMO Energy | -7.95 ± 0.55 eV |
LUMO Energy | 0.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | FJLRGFADCXTJNV-IIBYNOLFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |