Geometry & MOs

Info

ID:	301220
PubChem CID:	123069265
Reduced:	ClNO7H26C29 (1)
Stoich.:	ABC7D26E29 (1)
Weight, g/mol:	493.188923
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	9.35
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-ethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations