Geometry & MOs

Info

ID:

301014

PubChem CID:

123059344

Reduced:

NO6C33H37 (1)

Stoich.:

AB6C33D37 (1)

Weight, g/mol:

537.196294

ΔHf, kcal/mol:

-177.56

Dipole, Da:

6.95

IP(EA), eV:

 -8.46(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-difluorophenyl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(C)C)OC

DOS

IR

Vibrations