Geometry & MOs

Info

ID:

66917

PubChem CID:

46505509

Reduced:

SO4N5C35H43 (1)

Stoich.:

AB4C5D35E43 (1)

Weight, g/mol:

617.28359

ΔHf, kcal/mol:

-81.4

Dipole, Da:

1.59

IP(EA), eV:

 -8.39(-0.85)

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-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations