Geometry & MOs

Info

ID:	374455
PubChem CID:	131329773
Reduced:	BrSF3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	321.92971
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	3.28
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)F)C(=C1CBr)C(F)F

DOS

IR

Vibrations