Geometry & MOs

Info

ID:	249227
PubChem CID:	103087911
Reduced:	FNSCl2O2C11H12 (1)
Stoich.:	ABCD2E2F11G12 (1)
Weight, g/mol:	287.134385
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	4.05
IP(EA), eV:	-9.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-3-phenoxyaniline

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations