Geometry & MOs

Info

ID:	406213
PubChem CID:	135076875
Reduced:	OSN2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	289.997298
ΔH_f, kcal/mol:	33.86
Dipole, Da:	5.99
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,4-benzothiazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1C/[N+](=C/C2=CC=CS2)/N=C1[O-]

DOS

IR

Vibrations