Geometry & MOs

Info

ID:

301035

PubChem CID:

123059491

Reduced:

ClN2O6H27C29 (1)

Stoich.:

AB2C6D27E29 (1)

Weight, g/mol:

546.251858

ΔHf, kcal/mol:

-174.29

Dipole, Da:

13.86

IP(EA), eV:

 -8.3(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-yl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)NC(=O)C)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations