Geometry & MOs

Info

ID:

334878

PubChem CID:

127253684

Reduced:

N2O3C14H16 (2)

Stoich.:

A2B3C14D16 (2)

Weight, g/mol:

523.187399

ΔHf, kcal/mol:

-204.47

Dipole, Da:

4.83

IP(EA), eV:

 -8.58(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCN3C(=O)[C@@H]4CC5=CC(=C(C=C5CN4C3=O)OC)OC

DOS

IR

Vibrations