Geometry & MOs

Info

ID:	341666
PubChem CID:	127264359
Reduced:	AuPSC23H27 (1)
Stoich.:	ABCD23E27 (1)
Weight, g/mol:	725.909586
ΔH_f, kcal/mol:	156.5
Dipole, Da:	9.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.677856
Charge, e:	1

Chem-info

IUPAC name:

gold;2,3,4,5,6-pentachlorophenol;triphenylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations