Geometry & MOs

Info

ID:	66864
PubChem CID:	46505399
Reduced:	ClSO2N4C26H31 (1)
Stoich.:	ABC2D4E26F31 (1)
Weight, g/mol:	482.215176
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	1.31
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations