Geometry & MOs

Info

ID:

66953

PubChem CID:

46505585

Reduced:

SO4N5C32H37 (1)

Stoich.:

AB4C5D32E37 (1)

Weight, g/mol:

615.287926

ΔHf, kcal/mol:

-66.25

Dipole, Da:

5.16

IP(EA), eV:

 -8.29(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=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