Geometry & MOs

Info

ID:	373582
PubChem CID:	131317500
Reduced:	BrNSF2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	286.92159
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.06
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(difluoromethyl)-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)C#N)C(=C1C(F)F)Br

DOS

IR

Vibrations