Geometry & MOs

Info

ID:	300913
PubChem CID:	123055391
Reduced:	ClNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	519.10452
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	8.95
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-bromophenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations