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 | (5s)-5-[[[(1s,2s,3s)-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 | 4.10 ± 1.08 D |
| Volume | 442.7 Å 3 |
| Surface Area | 390.07 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IMKMRGOTDDUQHF-YRFFXBIPSA-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 |