Geometry & MOs

Info

ID:

411793

PubChem CID:

135084638

Reduced:

Rh2F4N4O12H41C44 (1)

Stoich.:

A2B4C4D12E41F44 (1)

Weight, g/mol:

894.273535

ΔHf, kcal/mol:

-414.57

Dipole, Da:

7.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763728

Charge, e:

 0

Chem-info

IUPAC name:

(4-fluorophenyl)methyl (2S)-1-[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]-1-[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]-1-[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]azetidin-2-yl]oxyazetidin-2-yl]oxyazetidin-2-yl]oxy-4-hydroxyazetidine-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([N-]C1ON2[C@@H](CC2ON3[C@@H](CC3ON4[C@@H](CC4O)C(=O)OCC5=CC=C(C=C5)F)C(=O)OCC6=CC=C(C=C6)F)C(=O)OCC7=CC=C(C=C7)F)C(=O)OCC8=CC=C(C=C8)F.[Rh].[Rh]

DOS

IR

Vibrations