Geometry & MOs

Info

ID:

133880

PubChem CID:

51607736

Reduced:

FN3O3C25H26 (1)

Stoich.:

AB3C3D25E26 (1)

Weight, g/mol:

372.192331

ΔHf, kcal/mol:

-116.74

Dipole, Da:

3.01

IP(EA), eV:

 -9.35(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1R,3S,3aS,6aR)-5-(2-methoxyethyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)F)CN3CCC(=CC3)C4=CC=CC=C4

DOS

IR

Vibrations