Geometry & MOs

Info

ID:

300861

PubChem CID:

123055235

Reduced:

NO8H29C30 (1)

Stoich.:

AB8C29D30 (1)

Weight, g/mol:

537.159908

ΔHf, kcal/mol:

-228.67

Dipole, Da:

9.43

IP(EA), eV:

 -8.59(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-1-(2,5-difluorophenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-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=C3OC)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations