Geometry & MOs

Info

ID:	78009
PubChem CID:	49681529
Reduced:	SO2F3N3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	463.079112
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	3.27
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C(=O)NC1=CC=CC=C1C(F)(F)F)C2=CC=CS2

DOS

IR

Vibrations