Geometry & MOs

Info

ID:	28280
PubChem CID:	826766
Reduced:	SO4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	329.020804
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	6.17
IP(EA), eV:	-9.43(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dichlorophenyl)sulfanyl-4-fluorophenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SC2=CC=C(C=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations