Geometry & MOs

Info

ID:

335195

PubChem CID:

127254056

Reduced:

N3O5C27H33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

525.11252

ΔHf, kcal/mol:

-172.22

Dipole, Da:

4.26

IP(EA), eV:

 -8.17(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations