Geometry & MOs

Info

ID:

301217

PubChem CID:

123069256

Reduced:

NCl3O5H18C25 (1)

Stoich.:

AB3C5D18E25 (1)

Weight, g/mol:

505.165601

ΔHf, kcal/mol:

-138.03

Dipole, Da:

9.15

IP(EA), eV:

 -9.16(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-butylphenyl)-5-(3-chloro-4-hydroxyphenyl)-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)Cl)Cl)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations