Geometry & MOs

Info

ID:	374990
PubChem CID:	131408697
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	3.55
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-(hydroxymethyl)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC2=C(S1)C(=CC(=C2)CO)O

DOS

IR

Vibrations