Geometry & MOs

Info

ID:	375175
PubChem CID:	131472759
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	2.01
Dipole, Da:	7.58
IP(EA), eV:	-8.96(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)SC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations