Geometry & MOs

Info

ID:

133884

PubChem CID:

51608468

Reduced:

N3O5C21H23 (1)

Stoich.:

A3B5C21D23 (1)

Weight, g/mol:

397.163771

ΔHf, kcal/mol:

-199.65

Dipole, Da:

4.32

IP(EA), eV:

 -9.39(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,3S,3aS,6aR)-5-cyclopentyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)[C@H]3[C@@H]([NH2+][C@@]4([C@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)[O-]

DOS

IR

Vibrations