Geometry & MOs

Info

ID:	249174
PubChem CID:	103087419
Reduced:	FNSCl2O4C10H10 (1)
Stoich.:	ABCD2E4F10G10 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-201.13
Dipole, Da:	3.28
IP(EA), eV:	-10.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCCCC(=O)O)Cl)F)Cl

DOS

IR

Vibrations