Geometry & MOs

Info

ID:	437909
PubChem CID:	135227303
Reduced:	ON4F6H14C21 (1)
Stoich.:	AB4C6D14E21 (1)
Weight, g/mol:	236.00944
ΔH_f, kcal/mol:	-235.64
Dipole, Da:	6.16
IP(EA), eV:	-9.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentafluoro-(2-fluoro-5-methylphenyl)-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CN=C(N=C2N1C3=C(C=C(C=C3F)O)F)C4=CC(=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations