Geometry & MOs

Info

ID:	178078
PubChem CID:	76274309
Reduced:	SF3O3N4H17C19 (1)
Stoich.:	AB3C3D4E17F19 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-176.97
Dipole, Da:	6.26
IP(EA), eV:	-8.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(dimethylamino)pyridin-3-yl]methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NN(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations