Geometry & MOs

Info

ID:

304695

PubChem CID:

124766066

Reduced:

N2O5H26C29 (1)

Stoich.:

A2B5C26D29 (1)

Weight, g/mol:

482.184172

ΔHf, kcal/mol:

-111.65

Dipole, Da:

6.82

IP(EA), eV:

 -9.38(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-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

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C)[C@](N2)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations