5-({[(1S,2S,3S)-2-Hydroxy-3-Phenoxycyclopentyl]Amino}Methyl)-2-Methyl-6,7-Dihydro-1-Benzothiophen-4(5H)-One
Properties
Property | Value |
---|---|
Formula | C21H25NO3S |
IUPAC Name | (5r)-5-[[[(1r,2r,3r)-2-hydroxy-3-phenoxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5h-benzothiophen-4-one |
Molecular Mass | 371.493 g·mol−1 |
Heat of Formation | -384.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.15 ± 1.08 D |
Volume | 443.78 Å 3 |
Surface Area | 390.09 Å 2 |
HOMO Energy | -8.81 ± 0.55 eV |
LUMO Energy | -0.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | IMKMRGOTDDUQHF-HAXDFEGKSA-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 |