Geometry & MOs

Info

ID:

408480

PubChem CID:

135081246

Reduced:

O11C42H70 (1)

Stoich.:

A11B42C70 (1)

Weight, g/mol:

729.981373

ΔHf, kcal/mol:

-583.83

Dipole, Da:

5.36

IP(EA), eV:

 -9.92(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=CC(C4(O3)CC[C@@](O4)(C)[C@H]5CCC([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O

DOS

IR

Vibrations