Geometry & MOs

Info

ID:	295686
PubChem CID:	117542404
Reduced:	BrOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	333.97755
ΔH_f, kcal/mol:	6.16
Dipole, Da:	4.26
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(4-bromophenyl)-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(=O)NC3=C(S2)C=CC(=C3)N)Br

DOS

IR

Vibrations