Geometry & MOs

Info

ID:	301173
PubChem CID:	123067444
Reduced:	ClNO6H24C28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	505.165601
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	12.52
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations