Geometry & MOs

Info

ID:	374324
PubChem CID:	131326778
Reduced:	NSBr2O2H5C9 (1)
Stoich.:	ABC2D2E5F9 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	38.25
Dipole, Da:	5.6
IP(EA), eV:	-9.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-7-methyl-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)CBr)Br)[N+](=O)[O-]

DOS

IR

Vibrations