Geometry & MOs

Info

ID:	375174
PubChem CID:	131472757
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	1.42
Dipole, Da:	7.58
IP(EA), eV:	-8.86(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methoxy-2-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1SC(=C2Br)[N+](=O)[O-]

DOS

IR

Vibrations