Geometry & MOs

Info

ID:

301049

PubChem CID:

123059634

Reduced:

ClNO5C31H32 (1)

Stoich.:

ABC5D31E32 (1)

Weight, g/mol:

515.230788

ΔHf, kcal/mol:

-147.79

Dipole, Da:

11.15

IP(EA), eV:

 -8.78(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-1-(2-hydroxy-5-methylphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations