Geometry & MOs

Info

ID:	151241
PubChem CID:	53790941
Reduced:	ON3S3C4H5 (1)
Stoich.:	AB3C3D4E5 (1)
Weight, g/mol:	261.060135
ΔH_f, kcal/mol:	6.51
Dipole, Da:	7.29
IP(EA), eV:	-8.53(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-3-(4-fluorophenoxy)phenyl]-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

C1(=NNC(=S)S1)C(C(=O)N)S

DOS

IR

Vibrations