Geometry & MOs

Info

ID:

52546

PubChem CID:

12015457

Reduced:

CuSN2F3O5H24C31 (1)

Stoich.:

ABC2D3E5F24G31 (1)

Weight, g/mol:

684.0967

ΔHf, kcal/mol:

-164.5

Dipole, Da:

2.13

IP(EA), eV:

 -9.38(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole;copper(1+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)C2=CC=CC=C2C3=CC=CC=C3C4=N[C@H](CO4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-].[Cu+]

DOS

IR

Vibrations