Geometry & MOs

Info

ID:	341659
PubChem CID:	127264352
Reduced:	AuNPO2H20C24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	426.970823
ΔH_f, kcal/mol:	228.2
Dipole, Da:	18.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.657651
Charge, e:	0

Chem-info

IUPAC name:

chlorogold;1-(isocyanomethylsulfonyl)-4-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations