Geometry & MOs

Info

ID:

308227

PubChem CID:

125323621

Reduced:

SO2N6C13H16 (1)

Stoich.:

AB2C6D13E16 (1)

Weight, g/mol:

554.135698

ΔHf, kcal/mol:

0.92

Dipole, Da:

5.13

IP(EA), eV:

 -8.92(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,3aS,6aS)-5-(1,3-benzodioxol-5-yl)-7'-chloro-1-(2H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C[C@@H]1CN=C(S1)NC(=O)CC[C@@H]2C(=NC3=NC=NN3C2=O)C

DOS

IR

Vibrations