Geometry & MOs

Info

ID:

301219

PubChem CID:

123069258

Reduced:

ClNO7H24C28 (1)

Stoich.:

ABC7D24E28 (1)

Weight, g/mol:

535.13978

ΔHf, kcal/mol:

-211.01

Dipole, Da:

6.59

IP(EA), eV:

 -8.68(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 3-[(3E)-2-(3-chloro-4-hydroxyphenyl)-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)CC(=O)OC)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations