Geometry & MOs

Info

ID:	66970
PubChem CID:	46505612
Reduced:	SO3N4C28H36 (1)
Stoich.:	AB3C4D28E36 (1)
Weight, g/mol:	528.19619
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	2.69
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)C)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations