Geometry & MOs

Info

ID:

66982

PubChem CID:

46505639

Reduced:

ClFO2S2N5C31H33 (1)

Stoich.:

ABC2D2E5F31G33 (1)

Weight, g/mol:

531.187102

ΔHf, kcal/mol:

-44.07

Dipole, Da:

4.37

IP(EA), eV:

 -8.67(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=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