Geometry & MOs

Info

ID:

304841

PubChem CID:

124766228

Reduced:

S2N3O6C26H35 (1)

Stoich.:

A2B3C6D26E35 (1)

Weight, g/mol:

332.137222

ΔHf, kcal/mol:

-209.19

Dipole, Da:

6.63

IP(EA), eV:

 -8.75(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]3CCCO3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations