Geometry & MOs

Info

ID:

301218

PubChem CID:

123069257

Reduced:

ClNO5H28C29 (1)

Stoich.:

ABC5D28E29 (1)

Weight, g/mol:

521.12413

ΔHf, kcal/mol:

-139.18

Dipole, Da:

5.02

IP(EA), eV:

 -8.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[(3E)-2-(3-chloro-4-hydroxyphenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations