Geometry & MOs

Info

ID:

300886

PubChem CID:

123055308

Reduced:

NO6C31H33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

543.225702

ΔHf, kcal/mol:

-173.92

Dipole, Da:

6.29

IP(EA), eV:

 -8.6(-1.03)

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-propan-2-yloxyphenyl)methylidene]-5-[3-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=CC=C4)OC

DOS

IR

Vibrations