Geometry & MOs

Info

ID:	249197
PubChem CID:	103087651
Reduced:	FNSCl2O4C12H12 (1)
Stoich.:	ABCD2E4F12G12 (1)
Weight, g/mol:	269.14495
ΔH_f, kcal/mol:	-204.95
Dipole, Da:	8.08
IP(EA), eV:	-10.35(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations