Geometry & MOs

Info

ID:	300665
PubChem CID:	123050719
Reduced:	NO6H29C30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	11.09
IP(EA), eV:	-8.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3Z)-1-(4-ethylphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations