Geometry & MOs

Info

ID:	408481
PubChem CID:	135081247
Reduced:	CuS2N3F6O8H19C25 (1)
Stoich.:	AB2C3D6E8F19G25 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-385.91
Dipole, Da:	8.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802161
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxy-2,2-diphenylethyl)-3-phenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)C2=NC(=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

DOS

IR

Vibrations