Geometry & MOs

Info

ID:

304730

PubChem CID:

124766104

Reduced:

N2O4H24C27 (1)

Stoich.:

A2B4C24D27 (1)

Weight, g/mol:

440.173607

ΔHf, kcal/mol:

-87.58

Dipole, Da:

2.91

IP(EA), eV:

 -9.26(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aR)-1-(2-methylphenyl)-4,6-dioxo-3,5-diphenyl-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@](N2)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations