Geometry & MOs

Info

ID:

300691

PubChem CID:

123050864

Reduced:

NO4C30H31 (1)

Stoich.:

AB4C30D31 (1)

Weight, g/mol:

513.215138

ΔHf, kcal/mol:

-104.0

Dipole, Da:

8.3

IP(EA), eV:

 -8.56(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-2-[3-(2-methylpropoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC(=C3)C)C)C4=CC(=CC=C4)OCC(C)C)/O

DOS

IR

Vibrations