Geometry & MOs

Info

ID:

300762

PubChem CID:

123054649

Reduced:

NO7C32H33 (1)

Stoich.:

AB7C32D33 (1)

Weight, g/mol:

543.225702

ΔHf, kcal/mol:

-196.08

Dipole, Da:

9.95

IP(EA), eV:

 -8.27(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)OCC(C)C)/O

DOS

IR

Vibrations