Geometry & MOs

Info

ID:

300933

PubChem CID:

123055423

Reduced:

NCl2O6H21C27 (1)

Stoich.:

AB2C6D21E27 (1)

Weight, g/mol:

539.090243

ΔHf, kcal/mol:

-166.25

Dipole, Da:

9.25

IP(EA), eV:

 -9.15(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations