Geometry & MOs

Info

ID:	263484
PubChem CID:	103371140
Reduced:	SF3N5C9H12 (1)
Stoich.:	AB3C5D9E12 (1)
Weight, g/mol:	267.014111
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	5.93
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

CC1=NN=C(N1CCN)SCC(C#N)C(F)(F)F

DOS

IR

Vibrations