Geometry & MOs

Info

ID:

66962

PubChem CID:

46505598

Reduced:

SO4N5C35H43 (1)

Stoich.:

AB4C5D35E43 (1)

Weight, g/mol:

599.293011

ΔHf, kcal/mol:

-85.71

Dipole, Da:

6.53

IP(EA), eV:

 -8.31(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OCC

DOS

IR

Vibrations