Geometry & MOs

Info

ID:

301060

PubChem CID:

123059680

Reduced:

ClNO7H28C29 (1)

Stoich.:

ABC7D28E29 (1)

Weight, g/mol:

523.180644

ΔHf, kcal/mol:

-204.25

Dipole, Da:

8.06

IP(EA), eV:

 -8.82(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations