Geometry & MOs

Info

ID:	374993
PubChem CID:	131408706
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	3.71
IP(EA), eV:	-8.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-7-(hydroxymethyl)-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CCOC1=CSC2=C1C(=C(C=C2)O)CO

DOS

IR

Vibrations