(2S,3R)-3-(4-Hydroxyphenyl)-2-{4-[(2R)-2-(1-Pyrrolidinyl)Propoxy]Phenyl}-2,3-Dihydro-1,4-Benzoxathiin-6-Ol
Properties
Property | Value |
---|---|
Formula | C27H29NO4S |
IUPAC Name | (2s,3r)-3-(4-hydroxyphenyl)-2-[4-[(2r)-2-pyrrolidin-1-ylpropoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol |
Molecular Mass | 463.588 g·mol−1 |
Heat of Formation | -406.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.46 ± 1.08 D |
Volume | 554.32 Å 3 |
Surface Area | 459.13 Å 2 |
HOMO Energy | -8.26 ± 0.55 eV |
LUMO Energy | 2.71 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | UZOOIPXOYYJULJ-BLIZRMSTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |