Geometry & MOs

Info

ID:

300674

PubChem CID:

123050767

Reduced:

N2O5C30H30 (1)

Stoich.:

A2B5C30D30 (1)

Weight, g/mol:

484.199822

ΔHf, kcal/mol:

-108.19

Dipole, Da:

8.85

IP(EA), eV:

 -7.72(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCCCC4)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations