Geometry & MOs

Info

ID:	373195
PubChem CID:	131311343
Reduced:	BrSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	261.993378
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	3.35
IP(EA), eV:	-8.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-7-methylsulfanyl-1-benzothiophen-5-ol

Drug info:

PubChemData

Smile

CCOC1=C2C(=CSC2=C(C=C1)OC)CBr

DOS

IR

Vibrations