Geometry & MOs

Info

ID:

66968

PubChem CID:

46505610

Reduced:

SN5O5C34H39 (1)

Stoich.:

AB5C5D34E39 (1)

Weight, g/mol:

538.261377

ΔHf, kcal/mol:

-117.91

Dipole, Da:

6.09

IP(EA), eV:

 -8.41(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations