Geometry & MOs

Info

ID:	375170
PubChem CID:	131472749
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	6.78
IP(EA), eV:	-9.13(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1SC(=C2)CBr)[N+](=O)[O-]

DOS

IR

Vibrations