Geometry & MOs

Info

ID:	300767
PubChem CID:	123054716
Reduced:	NCl2O5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	539.126628
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	10.52
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations