Geometry & MOs

Info

ID:	206133
PubChem CID:	80209305
Reduced:	ClS2N3O4C10H16 (1)
Stoich.:	AB2C3D4E10F16 (1)
Weight, g/mol:	247.117256
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	6.58
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NCCCS(=O)(=O)N)N)Cl

DOS

IR

Vibrations