Geometry & MOs

Info

ID:

66334

PubChem CID:

46504350

Reduced:

ClSO3N5C28H36 (1)

Stoich.:

ABC3D5E28F36 (1)

Weight, g/mol:

667.215067

ΔHf, kcal/mol:

-73.43

Dipole, Da:

5.09

IP(EA), eV:

 -8.43(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)OCC

DOS

IR

Vibrations