Geometry & MOs

Info

ID:	293596
PubChem CID:	117394004
Reduced:	FN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	256.051778
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	1.26
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2,2-dioxo-1H-4,2lambda6,1-benzoxathiazin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)CON)F

DOS

IR

Vibrations