Geometry & MOs

Info

ID:	128904
PubChem CID:	51063033
Reduced:	BrNOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	353.052228
ΔH_f, kcal/mol:	12.87
Dipole, Da:	4.97
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium;perchlorate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=CC=N2)C=C1)Br

DOS

IR

Vibrations