Geometry & MOs

Info

ID:	249230
PubChem CID:	103087931
Reduced:	FNSCl2O3C10H12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	243.109314
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	3.05
IP(EA), eV:	-9.89(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-methoxy-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CC(C)CONS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations