Geometry & MOs

Info

ID:

334862

PubChem CID:

127253668

Reduced:

N3O5C25H29 (1)

Stoich.:

A3B5C25D29 (1)

Weight, g/mol:

462.101621

ΔHf, kcal/mol:

-163.86

Dipole, Da:

5.06

IP(EA), eV:

 -8.16(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)N)OC)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations