Geometry & MOs

Info

ID:

335190

PubChem CID:

127254051

Reduced:

N5O5H21C23 (1)

Stoich.:

A5B5C21D23 (1)

Weight, g/mol:

495.156099

ΔHf, kcal/mol:

-92.71

Dipole, Da:

10.16

IP(EA), eV:

 -8.74(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NC5=CC=NN5)OC

DOS

IR

Vibrations