Geometry & MOs

Info

ID:

398166

PubChem CID:

135032085

Reduced:

N2O4C16H25 (1)

Stoich.:

A2B4C16D25 (1)

Weight, g/mol:

353.039165

ΔHf, kcal/mol:

-97.11

Dipole, Da:

6.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755433

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(1,3-dioxoisoindol-2-yl)-3-ethoxycarbothioylsulfanylpropanoate

Drug info:

PubChemData

Smile

C1CC2C(C2OC(=O)NCCCCC(C(=O)O)[NH3+])CCC#C1

DOS

IR

Vibrations