Geometry & MOs

Info

ID:

66934

PubChem CID:

46505548

Reduced:

SF2O3N5C33H37 (1)

Stoich.:

AB2C3D5E33F37 (1)

Weight, g/mol:

637.228967

ΔHf, kcal/mol:

-132.51

Dipole, Da:

7.61

IP(EA), eV:

 -8.24(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)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)F

DOS

IR

Vibrations