Geometry & MOs

Info

ID:

300865

PubChem CID:

123055248

Reduced:

N2O6C31H32 (1)

Stoich.:

A2B6C31D32 (1)

Weight, g/mol:

515.230788

ΔHf, kcal/mol:

-154.44

Dipole, Da:

8.21

IP(EA), eV:

 -7.82(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-tert-butylphenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCCC4)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations