1-(2-{[4-Chloro-5-(~18~F)Fluoro-2-Methylphenyl]Sulfanyl}Phenyl)-N,N-Dimethylmethanamine
Properties
Property | Value |
---|---|
Formula | C16H17ClFNS |
IUPAC Name | 1-[2-(4-chloro-5-fluoro-2-methyl-phenyl)sulfanylphenyl]-n,n-dimethyl-methanamine |
Molecular Mass | 309.829 g·mol−1 |
Heat of Formation | -70.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.63 ± 1.08 D |
Volume | 368.34 Å 3 |
Surface Area | 307.77 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | -0.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | XPJCWJSVPBMPOX-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl N S |