Geometry & MOs

Info

ID:	301131
PubChem CID:	123059992
Reduced:	BrClNO4H21C26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	505.165601
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	8.83
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations