Geometry & MOs

Info

ID:	411742
PubChem CID:	135084576
Reduced:	RhN2O7C30H32 (1)
Stoich.:	AB2C7D30E32 (1)
Weight, g/mol:	1089.78819
ΔH_f, kcal/mol:	-224.64
Dipole, Da:	16.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.327092
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,4,4,4-heptafluorobutanoic acid;methyl 2,2,3,3,4,4,4-heptafluorobutanoate;rhodium

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.C1[C@@H](N=C(O1)C2=[C-]C(=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4)CC5=CC=CC=C5.[OH-].[Rh+2]

DOS

IR

Vibrations