Geometry & MOs

Info

ID:

301096

PubChem CID:

123059836

Reduced:

ClNO6C30H30 (1)

Stoich.:

ABC6D30E30 (1)

Weight, g/mol:

537.119044

ΔHf, kcal/mol:

-178.89

Dipole, Da:

3.96

IP(EA), eV:

 -8.7(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=C(C(=C4)Cl)O)OC

DOS

IR

Vibrations