Geometry & MOs

Info

ID:	372938
PubChem CID:	131307226
Reduced:	ClSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	242.016829
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	3.3
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-ethoxy-1-benzothiophen-6-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=CC(=C2C(=C1)C=C(S2)Cl)CO

DOS

IR

Vibrations