Geometry & MOs

Info

ID:	85553
PubChem CID:	49876774
Reduced:	ClSN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	366.122059
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCN.[Cl-]

DOS

IR

Vibrations