Geometry & MOs

Info

ID:	379468
PubChem CID:	134434266
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	323.019847
ΔH_f, kcal/mol:	23.04
Dipole, Da:	1.84
IP(EA), eV:	-8.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-fluoro-1,3-benzothiazol-2-yl)pyridin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=C2N/C(=C/N=C)/SC)C3CC4=C(C=C(C=C4)OC)NC3=O)C=C1

DOS

IR

Vibrations