Geometry & MOs

Info

ID:	374991
PubChem CID:	131408698
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	2.83
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-5-(hydroxymethyl)-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CCOC1=C(SC2=CC=CC(=C21)CO)O

DOS

IR

Vibrations