Geometry & MOs

Info

ID:	373624
PubChem CID:	131317993
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	230.021307
ΔH_f, kcal/mol:	96.03
Dipole, Da:	6.71
IP(EA), eV:	-9.51(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-4-(hydroxymethyl)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C#N)C(=CS2)C#N)CCl

DOS

IR

Vibrations