Geometry & MOs

Info

ID:	166519
PubChem CID:	74703862
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	448.095175
ΔH_f, kcal/mol:	2.94
Dipole, Da:	7.88
IP(EA), eV:	-9.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate

Drug info:

PubChemData

Smile

CC1(CC2=C(C(C3C(=N2)C4=CC=CC=C4C3=O)C5=CN=CC=C5)C(=O)C1)C

DOS

IR

Vibrations