Geometry & MOs

Info

ID:

304943

PubChem CID:

124766341

Reduced:

N2O7C22H30 (1)

Stoich.:

A2B7C22D30 (1)

Weight, g/mol:

394.152872

ΔHf, kcal/mol:

-269.86

Dipole, Da:

2.06

IP(EA), eV:

 -8.72(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)CC)C(=O)OC

DOS

IR

Vibrations