Geometry & MOs

Info

ID:	374457
PubChem CID:	131329780
Reduced:	BrF2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	321.92971
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	3.14
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-3-(difluoromethyl)-5-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C=CC=C2S1)CBr)C(F)F

DOS

IR

Vibrations