Geometry & MOs

Info

ID:	373583
PubChem CID:	131317505
Reduced:	BrNSF2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	286.92159
ΔH_f, kcal/mol:	-23.63
Dipole, Da:	6.32
IP(EA), eV:	-9.49(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(difluoromethyl)-1-benzothiophene-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)C(=C(S2)C#N)C(F)F

DOS

IR

Vibrations