Geometry & MOs

Info

ID:

301084

PubChem CID:

123059782

Reduced:

FNO6C32H34 (1)

Stoich.:

ABC6D32E34 (1)

Weight, g/mol:

543.262088

ΔHf, kcal/mol:

-223.92

Dipole, Da:

12.71

IP(EA), eV:

 -8.59(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations