(2S,3S)-3-(4-Hydroxyphenyl)-2-{4-[(2S)-2-(1-Pyrrolidinyl)Propoxy]Phenyl}-2,3-Dihydro-1,4-Benzoxathiin-6-Ol
Properties
| Property | Value |
|---|---|
| Formula | C27H29NO4S |
| IUPAC Name | (2s,3s)-3-(4-hydroxyphenyl)-2-[4-[(2s)-2-pyrrolidin-1-ylpropoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol |
| Molecular Mass | 463.588 g·mol−1 |
| Heat of Formation | -416.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.24 ± 1.08 D |
| Volume | 556.23 Å 3 |
| Surface Area | 468.44 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | 2.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UZOOIPXOYYJULJ-OALGXETFSA-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 |