Geometry & MOs

Info

ID:

66915

PubChem CID:

46505507

Reduced:

ClSO3N5C34H40 (1)

Stoich.:

ABC3D5E34F40 (1)

Weight, g/mol:

671.314141

ΔHf, kcal/mol:

-50.69

Dipole, Da:

3.01

IP(EA), eV:

 -8.47(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations