Geometry & MOs

Info

ID:

66867

PubChem CID:

46505403

Reduced:

ClSO3N4C26H31 (1)

Stoich.:

ABC3D4E26F31 (1)

Weight, g/mol:

544.191104

ΔHf, kcal/mol:

-79.72

Dipole, Da:

5.94

IP(EA), eV:

 -8.4(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC(=CC=C3)Cl)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations