Geometry & MOs

Info

ID:	300599
PubChem CID:	123044810
Reduced:	NCl2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	535.199488
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	5.02
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(3-hydroxyphenyl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations