Geometry & MOs

Info

ID:

334396

PubChem CID:

127252948

Reduced:

SN5O7C39H43 (1)

Stoich.:

AB5C7D39E43 (1)

Weight, g/mol:

499.114628

ΔHf, kcal/mol:

-149.29

Dipole, Da:

5.45

IP(EA), eV:

 -8.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-[3-(furan-2-yl)-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

CC[C@@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=CNC3=C2C=CC(=C3)OC)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations