Geometry & MOs

Info

ID:

134524

PubChem CID:

51710788

Reduced:

FN3O4C28H28 (1)

Stoich.:

AB3C4D28E28 (1)

Weight, g/mol:

484.17467

ΔHf, kcal/mol:

-104.67

Dipole, Da:

8.31

IP(EA), eV:

 -8.61(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6R,7R,8R)-5'-methoxy-7-(4-nitrophenyl)-6-(pyridine-3-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(OC3=CC=CC=C3C2=O)[NH+]=C(C[NH+]4CCN(CC4)C5=CC=CC=C5F)O

DOS

IR

Vibrations