Geometry & MOs

Info

ID:

66965

PubChem CID:

46505602

Reduced:

SN5O5C36H43 (1)

Stoich.:

AB5C5D36E43 (1)

Weight, g/mol:

619.238389

ΔHf, kcal/mol:

-132.32

Dipole, Da:

6.87

IP(EA), eV:

 -8.48(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-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=CC=C4)C5=CC=C(C=C5)C(=O)OCC

DOS

IR

Vibrations