Geometry & MOs

Info

ID:

334686

PubChem CID:

127253361

Reduced:

O7H20C26 (1)

Stoich.:

A7B20C26 (1)

Weight, g/mol:

501.166663

ΔHf, kcal/mol:

-173.65

Dipole, Da:

3.95

IP(EA), eV:

 -8.49(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC(=CC=C5)O)OC

DOS

IR

Vibrations