Geometry & MOs

Info

ID:

66325

PubChem CID:

46504317

Reduced:

ClSO3N4C34H39 (1)

Stoich.:

ABC3D4E34F39 (1)

Weight, g/mol:

614.292677

ΔHf, kcal/mol:

-64.57

Dipole, Da:

8.98

IP(EA), eV:

 -8.56(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations