Geometry & MOs

Info

ID:	70479
PubChem CID:	48413408
Reduced:	S2O3N5C18H21 (1)
Stoich.:	A2B3C5D18E21 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	5.71
IP(EA), eV:	-8.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations