Geometry & MOs

Info

ID:	381800
PubChem CID:	134972630
Reduced:	NOCl2F3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	209.05105
ΔH_f, kcal/mol:	-146.18
Dipole, Da:	2.58
IP(EA), eV:	-10.32(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-6,8-dimethyl-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1C(O1)(C2=C(N=C(C=C2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations