Geometry & MOs

Info

ID:	374460
PubChem CID:	131329788
Reduced:	BrSF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	289.95764
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	3.2
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1CBr)C(F)F)SC=C2

DOS

IR

Vibrations