Geometry & MOs

Info

ID:	63358
PubChem CID:	26758156
Reduced:	ClSO4N5C20H24 (1)
Stoich.:	ABC4D5E20F24 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	3.4
IP(EA), eV:	-8.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl

DOS

IR

Vibrations