Geometry & MOs

Info

ID:

66335

PubChem CID:

46504352

Reduced:

SCl2O3N5C34H39 (1)

Stoich.:

AB2C3D5E34F39 (1)

Weight, g/mol:

551.256626

ΔHf, kcal/mol:

-26.56

Dipole, Da:

5.42

IP(EA), eV:

 -8.33(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]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)Cl

DOS

IR

Vibrations