Geometry & MOs

Info

ID:

301029

PubChem CID:

123059454

Reduced:

ClNO7H28C29 (1)

Stoich.:

ABC7D28E29 (1)

Weight, g/mol:

533.196901

ΔHf, kcal/mol:

-200.65

Dipole, Da:

9.13

IP(EA), eV:

 -8.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(4-butylphenyl)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations