Geometry & MOs

Info

ID:	300775
PubChem CID:	123054787
Reduced:	BrNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	541.282823
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	9.99
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-dimethylphenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-5-[3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4C)/O

DOS

IR

Vibrations