Geometry & MOs

Info

ID:

66979

PubChem CID:

46505631

Reduced:

ClFSO3N5C32H35 (1)

Stoich.:

ABCD3E5F32G35 (1)

Weight, g/mol:

593.202752

ΔHf, kcal/mol:

-88.04

Dipole, Da:

5.75

IP(EA), eV:

 -8.51(-0.76)

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-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=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)Cl

DOS

IR

Vibrations