Geometry & MOs

Info

ID:	295680
PubChem CID:	117542287
Reduced:	BrNOSC13H16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	333.97755
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	1.15
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-(pyridin-2-ylmethyl)-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC(=C2)Br)SC(C1=O)(C)C

DOS

IR

Vibrations