Geometry & MOs

Info

ID:	70485
PubChem CID:	48413416
Reduced:	FO2S2N3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	416.097683
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	6.92
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations