Geometry & MOs

Info

ID:

301038

PubChem CID:

123059516

Reduced:

NO6H29C33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

525.170686

ΔHf, kcal/mol:

-138.56

Dipole, Da:

9.29

IP(EA), eV:

 -8.95(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-2-methylphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)OC)C4=CC=CC5=CC=CC=C54)/O

DOS

IR

Vibrations