Geometry & MOs

Info

ID:

66981

PubChem CID:

46505638

Reduced:

FSCl2O2N5C30H30 (1)

Stoich.:

ABC2D2E5F30G30 (1)

Weight, g/mol:

625.174824

ΔHf, kcal/mol:

-53.16

Dipole, Da:

3.79

IP(EA), eV:

 -8.44(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(C(=O)N(C2=S)C3=CC(=CC=C3)Cl)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F

DOS

IR

Vibrations