Geometry & MOs

Info

ID:	162777
PubChem CID:	57570020
Reduced:	ClSO2F3N8H20C21 (1)
Stoich.:	ABC2D3E8F20G21 (1)
Weight, g/mol:	588.323104
ΔH_f, kcal/mol:	-143.33
Dipole, Da:	8.59
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

CC(C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)NC(=O)C3=CC(=NC=N3)N4CCC(C4)N

DOS

IR

Vibrations