Geometry & MOs

Info

ID:	66971
PubChem CID:	46505614
Reduced:	ClSO3N4C27H33 (1)
Stoich.:	ABC3D4E27F33 (1)
Weight, g/mol:	552.277027
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	4.03
IP(EA), eV:	-8.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations