Geometry & MOs

Info

ID:

300595

PubChem CID:

123044518

Reduced:

NCl2O6H21C27 (1)

Stoich.:

AB2C6D21E27 (1)

Weight, g/mol:

523.144258

ΔHf, kcal/mol:

-165.98

Dipole, Da:

11.16

IP(EA), eV:

 -8.84(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3E)-1-(3,4-difluorophenyl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations