Geometry & MOs

Info

ID:

66898

PubChem CID:

46505481

Reduced:

SN4O4C29H38 (1)

Stoich.:

AB4C4D29E38 (1)

Weight, g/mol:

554.238533

ΔHf, kcal/mol:

-123.45

Dipole, Da:

5.47

IP(EA), eV:

 -8.33(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCC(CC3)C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations