Geometry & MOs

Info

ID:

66946

PubChem CID:

46505572

Reduced:

FSO3N5C32H36 (1)

Stoich.:

ABC3D5E32F36 (1)

Weight, g/mol:

603.267939

ΔHf, kcal/mol:

-71.9

Dipole, Da:

4.69

IP(EA), eV:

 -8.68(-0.98)

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-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations