Geometry & MOs

Info

ID:	375176
PubChem CID:	131472761
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	7.51
IP(EA), eV:	-9.43(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(S1)C=C(C=C2Br)[N+](=O)[O-]

DOS

IR

Vibrations