Geometry & MOs

Info

ID:	409287
PubChem CID:	135082067
Reduced:	AuPF13H13C27 (1)
Stoich.:	ABC13D13E27 (1)
Weight, g/mol:	894.975909
ΔH_f, kcal/mol:	-435.13
Dipole, Da:	1.73
IP(EA), eV:	-9.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

gold(3+);methyl N-(4-methylphenyl)carbamodithioate;1,2,3,4,5-pentafluorobenzene-6-ide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)F)P(C2=C(C(=C(C(=C2F)F)C)F)F)C3=C(C(=C(C(=C3F)F)C)F)F)F)F.C1=C[C-]=CC(=C1)F.[Au+]

DOS

IR

Vibrations