(2R,3S,4R,5S)-N-(4-Fluorophenyl)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-1-Piperidinecarbothioamide
Properties
Property | Value |
---|---|
Formula | C13H17FN2O4S |
IUPAC Name | (2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide |
Molecular Mass | 316.348 g·mol−1 |
Heat of Formation | -744.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.61 ± 1.08 D |
Volume | 355.22 Å 3 |
Surface Area | 299.02 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | 2.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | WPBCEOLJVINCLL-NOOOWODRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |