Geometry & MOs

Info

ID:	374458
PubChem CID:	131329781
Reduced:	BrF2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	321.92971
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	2.54
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C=C1)SC=C2C(F)F)CBr

DOS

IR

Vibrations