Geometry & MOs

Info

ID:

301018

PubChem CID:

123059427

Reduced:

NO5C33H37 (1)

Stoich.:

AB5C33D37 (1)

Weight, g/mol:

543.225702

ΔHf, kcal/mol:

-149.67

Dipole, Da:

5.3

IP(EA), eV:

 -8.64(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OCC

DOS

IR

Vibrations