Geometry & MOs

Info

ID:	70477
PubChem CID:	48413402
Reduced:	O2S2N4C19H28 (1)
Stoich.:	A2B2C4D19E28 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	3.23
IP(EA), eV:	-8.46(-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]-3-methylpiperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations