Geometry & MOs

Info

ID:

304629

PubChem CID:

124765997

Reduced:

O7C16H26 (1)

Stoich.:

A7B16C26 (1)

Weight, g/mol:

348.132136

ΔHf, kcal/mol:

-332.82

Dipole, Da:

1.58

IP(EA), eV:

 -10.3(0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C

DOS

IR

Vibrations