Geometry & MOs

Info

ID:	374329
PubChem CID:	131326847
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	6.4
IP(EA), eV:	-9.34(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-2-nitro-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1SC=C2CO)[N+](=O)[O-])CBr

DOS

IR

Vibrations