Geometry & MOs

Info

ID:

307580

PubChem CID:

125307566

Reduced:

FO4N5H18C27 (1)

Stoich.:

AB4C5D18E27 (1)

Weight, g/mol:

477.181919

ΔHf, kcal/mol:

-11.89

Dipole, Da:

2.61

IP(EA), eV:

 -8.83(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,3aR,6aR)-1-benzyl-6'-chloro-5-cyclohexyl-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\N2CN=C3C4=C(C=CC(=C4)F)N=C3C2=O)CN5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations