Geometry & MOs

Info

ID:

300857

PubChem CID:

123055224

Reduced:

NO7H29C30 (1)

Stoich.:

AB7C29D30 (1)

Weight, g/mol:

531.189317

ΔHf, kcal/mol:

-210.58

Dipole, Da:

8.5

IP(EA), eV:

 -8.6(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OC(=O)C

DOS

IR

Vibrations