Geometry & MOs

Info

ID:	52946
PubChem CID:	14709264
Reduced:	NSF3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	327.009633
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	5.45
IP(EA), eV:	-9.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-1,2,2-trifluoro-1-phenylethyl] thiocyanate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C(C2=CC=CC=C2)(F)SC#N)(F)F

DOS

IR

Vibrations