Geometry & MOs

Info

ID:

301215

PubChem CID:

123069235

Reduced:

ClN2O7H25C28 (1)

Stoich.:

AB2C7D25E28 (1)

Weight, g/mol:

517.025056

ΔHf, kcal/mol:

-207.12

Dipole, Da:

7.33

IP(EA), eV:

 -8.61(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxyphenyl)-1-(3,4-dichlorophenyl)-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=CC=CC(=C3)NC(=O)C)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations