Geometry & MOs

Info

ID:

334430

PubChem CID:

127252982

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

471.144865

ΔHf, kcal/mol:

-60.08

Dipole, Da:

7.52

IP(EA), eV:

 -8.46(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[2-(4-methoxyphenyl)ethylamino]-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=CC=C(C=C1)C2=NNC(=N2)C(C)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations