Geometry & MOs

Info

ID:

47351

PubChem CID:

10531759

Reduced:

PN5O16C18H34 (1)

Stoich.:

AB5C16D18E34 (1)

Weight, g/mol:

610.27957

ΔHf, kcal/mol:

-789.57

Dipole, Da:

14.33

IP(EA), eV:

 -9.19(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S)-4,5-bis[(1S)-1-fluoro-2-phenylethyl]-1,3-bis(naphthalen-2-ylmethyl)imidazolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H]([C@@H](CO)O)O)O)O.[NH4+].[NH4+]

DOS

IR

Vibrations