Geometry & MOs

Info

ID:

59659

PubChem CID:

24892236

Reduced:

N2S2O4C19H20 (1)

Stoich.:

A2B2C4D19E20 (1)

Weight, g/mol:

506.166471

ΔHf, kcal/mol:

-98.92

Dipole, Da:

4.31

IP(EA), eV:

 -8.67(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aS,6aR)-5-ethyl-3-methyl-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations