Geometry & MOs

Info

ID:	374938
PubChem CID:	131407378
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	230.021307
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	7.49
IP(EA), eV:	-9.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-3-methoxy-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)C=O)C(=O)O)CBr

DOS

IR

Vibrations