Geometry & MOs

Info

ID:

301059

PubChem CID:

123059679

Reduced:

ClNO6C30H30 (1)

Stoich.:

ABC6D30E30 (1)

Weight, g/mol:

537.15543

ΔHf, kcal/mol:

-169.57

Dipole, Da:

6.92

IP(EA), eV:

 -8.41(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)Cl)C)OC

DOS

IR

Vibrations