Geometry & MOs

Info

ID:	411183
PubChem CID:	135083994
Reduced:	NOSC3H5 (1)
Stoich.:	ABCD3E5 (1)
Weight, g/mol:	278.94792
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-bromo-2H-phenoxathiin-5-ium

Drug info:

PubChemData

Smile

C1CNSC1=O

DOS

IR

Vibrations