Geometry & MOs

Info

ID:

66332

PubChem CID:

46504341

Reduced:

ClSO4N5C33H36 (1)

Stoich.:

ABC4D5E33F36 (1)

Weight, g/mol:

553.272276

ΔHf, kcal/mol:

-78.59

Dipole, Da:

3.74

IP(EA), eV:

 -8.72(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations