Geometry & MOs

Info

ID:	70488
PubChem CID:	48413421
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	393.06394
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	4.45
IP(EA), eV:	-8.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-5-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC3=C(C=C2)OCC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations