Geometry & MOs

Info

ID:	300578
PubChem CID:	123043729
Reduced:	NCl2O3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	8.46
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(2-methylphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations