Geometry & MOs

Info

ID:

334329

PubChem CID:

127252881

Reduced:

ClO3N6C23H27 (1)

Stoich.:

AB3C6D23E27 (1)

Weight, g/mol:

566.193212

ΔHf, kcal/mol:

-42.96

Dipole, Da:

2.87

IP(EA), eV:

 -8.36(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]amino]-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=C3N=C(N=C4N5CCCCC5)Cl)OC

DOS

IR

Vibrations