Geometry & MOs

Info

ID:

304867

PubChem CID:

124766255

Reduced:

N2O5C22H22 (1)

Stoich.:

A2B5C22D22 (1)

Weight, g/mol:

394.152872

ΔHf, kcal/mol:

-171.07

Dipole, Da:

4.06

IP(EA), eV:

 -9.21(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-1-(4-hydroxyphenyl)-3-methyl-4,6-dioxo-5-phenyl-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)C

DOS

IR

Vibrations