Geometry & MOs

Info

ID:

307601

PubChem CID:

125307705

Reduced:

O3N4C22H30 (1)

Stoich.:

A3B4C22D30 (1)

Weight, g/mol:

463.174336

ΔHf, kcal/mol:

-70.44

Dipole, Da:

5.31

IP(EA), eV:

 -8.78(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,3aS,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-hydroxyethyl]-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C(=NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations