Geometry & MOs

Info

ID:	375185
PubChem CID:	131472795
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	0.35
Dipole, Da:	6.5
IP(EA), eV:	-9.27(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-7-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations