Geometry & MOs

Info

ID:	156900
PubChem CID:	56394849
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	7.55
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3CN4CCCC4

DOS

IR

Vibrations