Geometry & MOs

Info

ID:

334420

PubChem CID:

127252972

Reduced:

N2O2C13H13 (2)

Stoich.:

A2B2C13D13 (2)

Weight, g/mol:

496.140114

ΔHf, kcal/mol:

-100.08

Dipole, Da:

4.99

IP(EA), eV:

 -8.97(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C3C(C4=C(C=C(N(C4=O)CCC5=CN=CN5)C)OC3=N2)CC(=O)OC)C

DOS

IR

Vibrations