Geometry & MOs

Info

ID:

304694

PubChem CID:

124766065

Reduced:

SO2N6C26H36 (1)

Stoich.:

AB2C6D26E36 (1)

Weight, g/mol:

482.184172

ΔHf, kcal/mol:

-23.18

Dipole, Da:

3.72

IP(EA), eV:

 -8.33(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aR)-5-(3-acetylphenyl)-1-(2-methylphenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)N5[C@@H](CCC[C@H]5C)C

DOS

IR

Vibrations