Geometry & MOs

Info

ID:

301044

PubChem CID:

123059599

Reduced:

FNO6C32H32 (1)

Stoich.:

ABC6D32E32 (1)

Weight, g/mol:

545.221366

ΔHf, kcal/mol:

-220.42

Dipole, Da:

7.42

IP(EA), eV:

 -9.13(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations