Geometry & MOs

Info

ID:	374994
PubChem CID:	131408708
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	3.68
IP(EA), eV:	-8.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-nitro-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

CCOC1=CSC2=C(C=CC(=C12)O)CO

DOS

IR

Vibrations