Geometry & MOs

Info

ID:	295687
PubChem CID:	117542418
Reduced:	BrOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	336.95723
ΔH_f, kcal/mol:	11.99
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(3-fluorophenyl)-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(C(=O)N2)C3=CC=C(C=C3)Br)N

DOS

IR

Vibrations