Geometry & MOs

Info

ID:	23455
PubChem CID:	603800
Reduced:	ClNOSH4C7 (1)
Stoich.:	ABCDE4F7 (1)
Weight, g/mol:	184.970213
ΔH_f, kcal/mol:	36.92
Dipole, Da:	2.65
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-oxidothieno[2,3-b]pyridin-7-ium

Drug info:

PubChemData

Smile

C1=C[N+](=C2C(=C1Cl)C=CS2)[O-]

DOS

IR

Vibrations