Geometry & MOs

Info

ID:

300671

PubChem CID:

123050746

Reduced:

NO7H29C30 (1)

Stoich.:

AB7C29D30 (1)

Weight, g/mol:

507.168188

ΔHf, kcal/mol:

-200.54

Dipole, Da:

12.39

IP(EA), eV:

 -7.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-1-naphthalen-1-yl-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)OC(C)C)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations