Geometry & MOs

Info

ID:	374459
PubChem CID:	131329784
Reduced:	BrF2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	289.95764
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	2.32
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-7-(difluoromethyl)-5-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=C(C=CC2=C1C(=CS2)C(F)F)CBr

DOS

IR

Vibrations