Geometry & MOs

Info

ID:

304913

PubChem CID:

124766306

Reduced:

FN2O4H21C26 (1)

Stoich.:

AB2C4D21E26 (1)

Weight, g/mol:

332.137222

ΔHf, kcal/mol:

-105.04

Dipole, Da:

2.27

IP(EA), eV:

 -9.1(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aR)-3-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations