Geometry & MOs

Info

ID:	300584
PubChem CID:	123044042
Reduced:	ClNO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	8.02
IP(EA), eV:	-8.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=CC(=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations