1-(2-{[4-Chloro-5-(~18~F)Fluoro-2-Methylphenyl]Sulfanyl}Phenyl)-N,N-Dimethylmethanamine

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Properties Simple | Detailed

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
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Elements C F H Cl N S