Geometry & MOs

Info

ID:	373539
PubChem CID:	131316675
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-7.69
Dipole, Da:	4.33
IP(EA), eV:	-9.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-2-nitro-1-benzothiophen-3-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CO)[N+](=O)[O-])Br

DOS

IR

Vibrations