Geometry & MOs

Info

ID:

66957

PubChem CID:

46505593

Reduced:

ClSO4N5C33H38 (1)

Stoich.:

ABC4D5E33F38 (1)

Weight, g/mol:

601.272276

ΔHf, kcal/mol:

-81.47

Dipole, Da:

5.99

IP(EA), eV:

 -8.1(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations