Geometry & MOs

Info

ID:	228721
PubChem CID:	87565613
Reduced:	FSN2O2C24H25 (1)
Stoich.:	ABC2D2E24F25 (1)
Weight, g/mol:	670.170046
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	5.9
IP(EA), eV:	-9.31(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

ethanone;nickel(2+);triphenylphosphanium

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN=CC=C2)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations