Geometry & MOs

Info

ID:

300603

PubChem CID:

123044933

Reduced:

NO6C32H35 (1)

Stoich.:

AB6C32D35 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-170.52

Dipole, Da:

4.84

IP(EA), eV:

 -8.0(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 3-[(3E)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-2-(2-methylphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C2=O)C4=CC=CC=C4C)OCC

DOS

IR

Vibrations