Geometry & MOs

Info

ID:	133940
PubChem CID:	51617260
Reduced:	ClSN3O3C20H25 (1)
Stoich.:	ABC3D3E20F25 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752023
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] (2S)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CN3CC[NH+](CC3)C

DOS

IR

Vibrations