Geometry & MOs

Info

ID:	325646
PubChem CID:	126684315
Reduced:	FNSH12C19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	271.026727
ΔH_f, kcal/mol:	61.5
Dipole, Da:	5.39
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-difluoro-4-(2-phenylethynyl)phenyl] thiocyanate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)SC#N)F

DOS

IR

Vibrations