Geometry & MOs

Info

ID:

219042

PubChem CID:

85090402

Reduced:

O3C17H19 (2)

Stoich.:

A3B17C19 (2)

Weight, g/mol:

542.289306

ΔHf, kcal/mol:

-193.96

Dipole, Da:

1.49

IP(EA), eV:

 -9.27(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-butyl-5-[[1-butyl-3-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1(OCC2(O1)C(C3C(CO2)OC(O3)C=CCCCC4=CC=CC=C4)OCC5=CC=C(C=C5)C6=CC=CC=C6)C

DOS

IR

Vibrations