Geometry & MOs

Info

ID:

307060

PubChem CID:

125267423

Reduced:

ClOSN4H13C14 (1)

Stoich.:

ABCD4E13F14 (1)

Weight, g/mol:

540.156433

ΔHf, kcal/mol:

50.94

Dipole, Da:

4.32

IP(EA), eV:

 -8.67(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=O)[C@@H]1CC3=CC=CC=C3Cl)SC

DOS

IR

Vibrations