Geometry & MOs

Info

ID:

301213

PubChem CID:

123069228

Reduced:

NCl2O7H21C26 (1)

Stoich.:

AB2C7D21E26 (1)

Weight, g/mol:

515.094721

ΔHf, kcal/mol:

-206.72

Dipole, Da:

6.17

IP(EA), eV:

 -8.74(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(2,4-difluorophenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=CC(=C3)Cl)O)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations