Geometry & MOs

Info

ID:	23972
PubChem CID:	607269
Reduced:	SN2O3H4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	195.994263
ΔH_f, kcal/mol:	40.44
Dipole, Da:	2.5
IP(EA), eV:	-9.38(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations