Geometry & MOs

Info

ID:	70481
PubChem CID:	48413412
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	401.123169
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	3.91
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-phenylethanesulfonamide

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations