Geometry & MOs

Info

ID:	20445
PubChem CID:	583998
Reduced:	BrSN2O2H3C7 (1)
Stoich.:	ABC2D2E3F7 (1)
Weight, g/mol:	257.90986
ΔH_f, kcal/mol:	52.68
Dipole, Da:	6.1
IP(EA), eV:	-9.6(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-nitrothieno[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC(=C2Br)[N+](=O)[O-]

DOS

IR

Vibrations