Geometry & MOs

Info

ID:

301015

PubChem CID:

123059347

Reduced:

NF2O6H29C30 (1)

Stoich.:

AB2C6D29E30 (1)

Weight, g/mol:

533.221366

ΔHf, kcal/mol:

-246.14

Dipole, Da:

7.56

IP(EA), eV:

 -8.87(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(3,4-diethoxyphenyl)-1-(4-fluorophenyl)-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)F)F)OC

DOS

IR

Vibrations