Geometry & MOs

Info

ID:

66897

PubChem CID:

46505479

Reduced:

SN4O5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

538.261377

ΔHf, kcal/mol:

-177.12

Dipole, Da:

1.07

IP(EA), eV:

 -8.42(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-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=C(C=C4)C(=O)OCC

DOS

IR

Vibrations