Geometry & MOs

Info

ID:

66942

PubChem CID:

46505564

Reduced:

ClSO3N5C33H38 (1)

Stoich.:

ABC3D5E33F38 (1)

Weight, g/mol:

643.282841

ΔHf, kcal/mol:

-46.59

Dipole, Da:

4.23

IP(EA), eV:

 -8.47(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=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