Geometry & MOs

Info

ID:	300769
PubChem CID:	123054718
Reduced:	NCl2O4H29C30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	546.200216
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	6.11
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-ethoxyphenyl)-5-(4-hydroxy-3-nitrophenyl)-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=C(C=C(C=C3)C)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations