Geometry & MOs

Info

ID:

301001

PubChem CID:

123059050

Reduced:

NO6H29C33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

535.176165

ΔHf, kcal/mol:

-121.37

Dipole, Da:

7.39

IP(EA), eV:

 -8.74(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(4-tert-butylphenyl)-5-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations