Geometry & MOs

Info

ID:	300692
PubChem CID:	123050867
Reduced:	NO6C31H31 (1)
Stoich.:	AB6C31D31 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	8.98
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)OC)C4=CC(=CC=C4)OCC(C)C)/O

DOS

IR

Vibrations