Geometry & MOs

Info

ID:	300766
PubChem CID:	123054709
Reduced:	NCl2O4H29C30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	539.126628
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	10.11
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations