Geometry & MOs

Info

ID:	400172
PubChem CID:	135046186
Reduced:	Au2P2Cl4H28C29 (1)
Stoich.:	A2B2C4D28E29 (1)
Weight, g/mol:	390.201507
ΔH_f, kcal/mol:	140.09
Dipole, Da:	9.21
IP(EA), eV:	-8.11(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,7aS)-7-[tert-butyl(diphenyl)silyl]oxy-1,2,5,6,7,7a-hexahydroinden-4-one

Drug info:

PubChemData

Smile

[CH2-][P+]([CH2-])(C1=CC=CC=C1)C2=CC=CC=C2.[CH2-]P([CH2-])(C1=CC=CC=C1)(C2=CC=CC=C2)Cl.[C-](Cl)(Cl)Cl.[Au].[Au]

DOS

IR

Vibrations