Geometry & MOs

Info

ID:

133571

PubChem CID:

51555002

Reduced:

N2O5H22C26 (1)

Stoich.:

A2B5C22D26 (1)

Weight, g/mol:

469.140449

ΔHf, kcal/mol:

-70.71

Dipole, Da:

4.68

IP(EA), eV:

 -8.82(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R,3aR,6aR)-1-[(S)-(4-chlorophenyl)-hydroxymethyl]-5-(3-methoxypropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@@H]2C(=NO[C@@]23C4=CC=CC=C4NC3=O)C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations