Geometry & MOs

Info

ID:	219376
PubChem CID:	85148335
Reduced:	RhO4S4C13H24 (1)
Stoich.:	AB4C4D13E24 (1)
Weight, g/mol:	477.251523
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	16.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757241
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-ethyl 4-(5,5-diphenylpentylidene)-5-oxopyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C(CSCCCSCC(=O)O)CSCCCSCC(=O)O.[Rh+3]

DOS

IR

Vibrations