Geometry & MOs

Info

ID:

52544

PubChem CID:

12015455

Reduced:

CuSN2F3O5C25H28 (1)

Stoich.:

ABC2D3E5F25G28 (1)

Weight, g/mol:

616.128

ΔHf, kcal/mol:

-247.78

Dipole, Da:

7.25

IP(EA), eV:

 -9.3(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=N1)C2=CC=CC=C2C3=CC=CC=C3C4=N[C@H](CO4)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Cu+]

DOS

IR

Vibrations