Geometry & MOs

Info

ID:	341664
PubChem CID:	127264357
Reduced:	AuBPF4H16C18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	549.108029
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	11.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.028737
Charge, e:	1

Chem-info

IUPAC name:

gold(1+);2-methylpropane-2-thiolate;triphenylphosphanium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au]

DOS

IR

Vibrations