Geometry & MOs

Info

ID:

134485

PubChem CID:

51704946

Reduced:

ClN4O5H15C21 (1)

Stoich.:

AB4C5D15E21 (1)

Weight, g/mol:

460.17467

ΔHf, kcal/mol:

-23.58

Dipole, Da:

9.82

IP(EA), eV:

 -9.74(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,4S,8aR,8bR)-1'-ethyl-2-(2-methyl-3-nitrophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3[C@@H]4[C@@H]([C@@H]([NH+]3C=CC2=C1)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-])C(=O)N=C4[O-]

DOS

IR

Vibrations