Geometry & MOs

Info

ID:	68804
PubChem CID:	46509127
Reduced:	SN3O4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

DOS

IR

Vibrations