Geometry & MOs

Info

ID:	85771
PubChem CID:	49878998
Reduced:	SF3O4N5C17H18 (1)
Stoich.:	AB3C4D5E17F18 (1)
Weight, g/mol:	344.050064
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	3.94
IP(EA), eV:	-9.71(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N(C)C)N=C2C(F)(F)F

DOS

IR

Vibrations