Geometry & MOs

Info

ID:

66932

PubChem CID:

46505546

Reduced:

FSO4N5C35H42 (1)

Stoich.:

ABC4D5E35F42 (1)

Weight, g/mol:

617.28359

ΔHf, kcal/mol:

-133.7

Dipole, Da:

10.74

IP(EA), eV:

 -8.43(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)-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)OCC

DOS

IR

Vibrations