Geometry & MOs

Info

ID:	373287
PubChem CID:	131312705
Reduced:	FN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	261.993378
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	4.56
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(difluoromethoxy)-6-methylsulfanyl-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

CCC[C@H](C1=CNC2=C1C=C(C=C2)F)N

DOS

IR

Vibrations