Geometry & MOs

Info

ID:

304667

PubChem CID:

124766035

Reduced:

N2O5H24C27 (1)

Stoich.:

A2B5C24D27 (1)

Weight, g/mol:

456.168522

ΔHf, kcal/mol:

-133.02

Dipole, Da:

4.47

IP(EA), eV:

 -9.18(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-1-(4-hydroxyphenyl)-4,6-dioxo-3,5-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations