Geometry & MOs

Info

ID:	373805
PubChem CID:	131320229
Reduced:	BrSF3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	293.93257
ΔH_f, kcal/mol:	-115.67
Dipole, Da:	2.39
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-5-(difluoromethyl)-4-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1C(F)F)F)CBr

DOS

IR

Vibrations