Geometry & MOs

Info

ID:	206088
PubChem CID:	80200766
Reduced:	ON2Cl3H7C14 (1)
Stoich.:	AB2C3D7E14 (1)
Weight, g/mol:	313.050355
ΔH_f, kcal/mol:	17.96
Dipole, Da:	4.94
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)NC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations