Geometry & MOs

Info

ID:	28281
PubChem CID:	826773
Reduced:	FNSCl2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	329.086133
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	2.22
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=C(C=C1)F)SC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations