Geometry & MOs

Info

ID:

307680

PubChem CID:

125308018

Reduced:

Cl2O5N10C28H38 (1)

Stoich.:

A2B5C10D28E38 (1)

Weight, g/mol:

548.20597

ΔHf, kcal/mol:

-138.9

Dipole, Da:

3.63

IP(EA), eV:

 -9.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,3aR,6aR)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7'-ethyl-1-(2H-indol-3-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCCCCCN=C(N)N=C(N)NC3=CC=C(C=C3)Cl)[C@@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)Cl

DOS

IR

Vibrations