Geometry & MOs

Info

ID:	374311
PubChem CID:	131326580
Reduced:	O2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	4.12
IP(EA), eV:	-8.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-methylsulfanyl-1-benzothiophen-7-yl)methanol

Drug info:

PubChemData

Smile

COC1=CSC2=C1C=CC(=C2CO)SC

DOS

IR

Vibrations