Geometry & MOs

Info

ID:	142100
PubChem CID:	52980343
Reduced:	OSN3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	38.08
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.286904
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methoxyanilino)-4-(4-methylphenyl)cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

C1CC2=C(NC(=O)[N+](=C2C1)C3=CC=CC=C3)SC(C4=CC=CC5=CC=CC=C54)N

DOS

IR

Vibrations