Geometry & MOs

Info

ID:	341675
PubChem CID:	127264368
Reduced:	AuOPC23H23 (1)
Stoich.:	ABCD23E23 (1)
Weight, g/mol:	641.224773
ΔH_f, kcal/mol:	177.97
Dipole, Da:	6.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.929241
Charge, e:	1

Chem-info

IUPAC name:

ditert-butyl-(4-phenylphenyl)phosphanium;gold(1+);5-phenyl-3,4-dihydro-2H-furan-4-ide

Drug info:

PubChemData

Smile

CC1=[C-]CCO1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

DOS

IR

Vibrations