Geometry & MOs

Info

ID:

300600

PubChem CID:

123044868

Reduced:

NO6H29C33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

536.135029

ΔHf, kcal/mol:

-123.36

Dipole, Da:

9.52

IP(EA), eV:

 -8.56(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(3-chloro-4-methylphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(4-hydroxy-3-nitrophenyl)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)OC4=CC=CC=C4)C5=CC(=CC=C5)O)/O

DOS

IR

Vibrations