Geometry & MOs

Info

ID:

66872

PubChem CID:

46505429

Reduced:

ClSO3N5C26H32 (1)

Stoich.:

ABC3D5E26F32 (1)

Weight, g/mol:

545.186353

ΔHf, kcal/mol:

-69.05

Dipole, Da:

4.1

IP(EA), eV:

 -8.47(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCN(CC3)C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations