Geometry & MOs

Info

ID:	140229
PubChem CID:	52666673
Reduced:	ClNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	467.05144
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	2.08
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CN(CC1CC1)C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations