Geometry & MOs

Info

ID:	156965
PubChem CID:	56394979
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	5.09
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations