Geometry & MOs

Info

ID:

300669

PubChem CID:

123050742

Reduced:

NO8H25C29 (1)

Stoich.:

AB8C25D29 (1)

Weight, g/mol:

491.113565

ΔHf, kcal/mol:

-239.73

Dipole, Da:

8.4

IP(EA), eV:

 -8.96(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations