Geometry & MOs

Info

ID:

66894

PubChem CID:

46505473

Reduced:

ClSO3N5C27H34 (1)

Stoich.:

ABC3D5E27F34 (1)

Weight, g/mol:

540.222883

ΔHf, kcal/mol:

-65.23

Dipole, Da:

9.74

IP(EA), eV:

 -8.34(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[3-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCN(CC3)C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations