Geometry & MOs

Info

ID:	375171
PubChem CID:	131472751
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-1.96
Dipole, Da:	7.31
IP(EA), eV:	-9.27(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methoxy-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)[N+](=O)[O-])Br

DOS

IR

Vibrations