Geometry & MOs

Info

ID:	249293
PubChem CID:	103088374
Reduced:	FNSCl2O3H8C12 (1)
Stoich.:	ABCD2E3F8G12 (1)
Weight, g/mol:	291.00926
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	2.89
IP(EA), eV:	-9.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations