Geometry & MOs

Info

ID:

300832

PubChem CID:

123055154

Reduced:

NO8H27C30 (1)

Stoich.:

AB8C27D30 (1)

Weight, g/mol:

543.189317

ΔHf, kcal/mol:

-244.37

Dipole, Da:

11.89

IP(EA), eV:

 -8.96(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(3E)-2-(4-acetyloxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations