Geometry & MOs

Info

ID:

300860

PubChem CID:

123055233

Reduced:

ClNO7H26C29 (1)

Stoich.:

ABC7D26E29 (1)

Weight, g/mol:

531.189317

ΔHf, kcal/mol:

-204.47

Dipole, Da:

13.43

IP(EA), eV:

 -8.79(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyphenyl)-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations