Geometry & MOs

Info

ID:

66939

PubChem CID:

46505557

Reduced:

SF2O2N5C31H33 (1)

Stoich.:

AB2C2D5E31F33 (1)

Weight, g/mol:

581.207231

ΔHf, kcal/mol:

-92.27

Dipole, Da:

2.75

IP(EA), eV:

 -8.45(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations