Geometry & MOs

Info

ID:

66929

PubChem CID:

46505541

Reduced:

SO4N5C34H41 (1)

Stoich.:

AB4C5D34E41 (1)

Weight, g/mol:

589.252289

ΔHf, kcal/mol:

-79.75

Dipole, Da:

3.79

IP(EA), eV:

 -8.37(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)OC

DOS

IR

Vibrations