Geometry & MOs

Info

ID:

66913

PubChem CID:

46505504

Reduced:

SO3N5C34H41 (1)

Stoich.:

AB3C5D34E41 (1)

Weight, g/mol:

643.319226

ΔHf, kcal/mol:

-38.41

Dipole, Da:

2.65

IP(EA), eV:

 -8.41(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-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)CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations