Geometry & MOs

Info

ID:

298461

PubChem CID:

117649966

Reduced:

NO2C21H25 (1)

Stoich.:

AB2C21D25 (1)

Weight, g/mol:

1084.343923

ΔHf, kcal/mol:

-61.84

Dipole, Da:

8.41

IP(EA), eV:

 -9.81(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-3-[3-[1-[2-[2-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]oxy-2-[[1-[2-[2-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]oxymethyl]propoxy]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C[C@]1\2CC(=O)[C@H]3[C@H]([C@@H]1CC/C2=C/C#N)CCC4=CC(=O)CCC34C

DOS

IR

Vibrations