Geometry & MOs

Info

ID:	300667
PubChem CID:	123050734
Reduced:	NO7H23C27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-188.85
Dipole, Da:	12.0
IP(EA), eV:	-8.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3E)-1-(2,3-dimethylphenyl)-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=CC=C3O)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations