Geometry & MOs

Info

ID:

66936

PubChem CID:

46505550

Reduced:

FSN5O5C36H42 (1)

Stoich.:

ABC5D5E36F42 (1)

Weight, g/mol:

593.227217

ΔHf, kcal/mol:

-177.51

Dipole, Da:

5.61

IP(EA), eV:

 -8.37(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)C(=O)OCC

DOS

IR

Vibrations