Geometry & MOs

Info

ID:	344796
PubChem CID:	127268417
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-155.37
Dipole, Da:	4.26
IP(EA), eV:	-9.51(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCC(CC1)OC

DOS

IR

Vibrations