Geometry & MOs

Info

ID:

304969

PubChem CID:

124766373

Reduced:

N2O7C27H30 (1)

Stoich.:

A2B7C27D30 (1)

Weight, g/mol:

494.205301

ΔHf, kcal/mol:

-226.24

Dipole, Da:

6.59

IP(EA), eV:

 -8.67(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-5-(3-acetylphenyl)-1-(2,5-dimethoxyphenyl)-4,6-dioxo-3-propyl-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=C(C=CC(=C3)OC)OC)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OC

DOS

IR

Vibrations