Geometry & MOs

Info

ID:

301126

PubChem CID:

123059968

Reduced:

ClN2O4C31H31 (1)

Stoich.:

AB2C4D31E31 (1)

Weight, g/mol:

519.181251

ΔHf, kcal/mol:

-91.29

Dipole, Da:

7.4

IP(EA), eV:

 -7.81(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-[4-(2-methylpropoxy)phenyl]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=C(C=C3)N4CCCCC4)C5=CC=C(C=C5)Cl)/O

DOS

IR

Vibrations