Geometry & MOs

Info

ID:

304808

PubChem CID:

124766194

Reduced:

N2O5H28C29 (1)

Stoich.:

A2B5C28D29 (1)

Weight, g/mol:

484.199822

ΔHf, kcal/mol:

-115.47

Dipole, Da:

2.72

IP(EA), eV:

 -8.45(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3R,3aS,6aS)-5-(4-ethoxyphenyl)-1-(2-methylphenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)[C@](N[C@H]3C4=CC=CC=C4C)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations