Geometry & MOs

Info

ID:	70473
PubChem CID:	48413397
Reduced:	SN2O6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	402.118418
ΔH_f, kcal/mol:	-230.9
Dipole, Da:	4.03
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C)OC

DOS

IR

Vibrations