Geometry & MOs

Info

ID:

304630

PubChem CID:

124765998

Reduced:

N2O6C17H20 (1)

Stoich.:

A2B6C17D20 (1)

Weight, g/mol:

496.184566

ΔHf, kcal/mol:

-220.76

Dipole, Da:

3.54

IP(EA), eV:

 -9.21(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-5-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=C(C=C3)O)(CO)C(=O)OC

DOS

IR

Vibrations