Geometry & MOs

Info

ID:	295679
PubChem CID:	117542226
Reduced:	F2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	313.0136
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	2.41
IP(EA), eV:	-8.39(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,2-dimethyl-4-propyl-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC)(F)F

DOS

IR

Vibrations