Geometry & MOs

Info

ID:	249212
PubChem CID:	103087769
Reduced:	FNSCl2O4H8C11 (1)
Stoich.:	ABCD2E4F8G11 (1)
Weight, g/mol:	273.085721
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	6.71
IP(EA), eV:	-10.17(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-3-methylsulfonylaniline

Drug info:

PubChemData

Smile

C#CCN(CC(=O)O)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations