Geometry & MOs

Info

ID:

300934

PubChem CID:

123055424

Reduced:

NCl2O6H23C28 (1)

Stoich.:

AB2C6D23E28 (1)

Weight, g/mol:

525.074593

ΔHf, kcal/mol:

-172.39

Dipole, Da:

5.89

IP(EA), eV:

 -9.15(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(3E)-2-(3,4-dichlorophenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations