Geometry & MOs

Info

ID:	249159
PubChem CID:	103087276
Reduced:	SCl2F2N2O2H8C12 (1)
Stoich.:	AB2C2D2E2F8G12 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-133.54
Dipole, Da:	2.62
IP(EA), eV:	-8.97(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)N)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations