Geometry & MOs

Info

ID:

334815

PubChem CID:

127253490

Reduced:

ClN4O6H21C25 (1)

Stoich.:

AB4C6D21E25 (1)

Weight, g/mol:

482.135698

ΔHf, kcal/mol:

-104.39

Dipole, Da:

2.52

IP(EA), eV:

 -8.93(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N3C(=N2)N=CN3)C4=CC=C(C=C4)O)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations