Geometry & MOs

Info

ID:	372987
PubChem CID:	131308116
Reduced:	BrN4H5C6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	213.005991
ΔH_f, kcal/mol:	87.51
Dipole, Da:	2.87
IP(EA), eV:	-9.96(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-4-methylsulfanylbenzoyl cyanide

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)CN)C#N)Br

DOS

IR

Vibrations