Geometry & MOs

Info

ID:

66958

PubChem CID:

46505594

Reduced:

SO4N5C33H39 (1)

Stoich.:

AB4C5D33E39 (1)

Weight, g/mol:

605.222739

ΔHf, kcal/mol:

-74.97

Dipole, Da:

5.74

IP(EA), eV:

 -8.15(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)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(=CC=C5)OC

DOS

IR

Vibrations