Geometry & MOs

Info

ID:

301139

PubChem CID:

123060101

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

545.241352

ΔHf, kcal/mol:

-176.57

Dipole, Da:

6.83

IP(EA), eV:

 -8.4(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3-ethoxy-4-propan-2-yloxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCCC)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OCC)OC

DOS

IR

Vibrations