Geometry & MOs

Info

ID:	295683
PubChem CID:	117542346
Reduced:	FNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	332.9823
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	3.48
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-methyl-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C(S2)C3=CC(=CC=C3)F

DOS

IR

Vibrations