Geometry & MOs

Info

ID:	194251
PubChem CID:	78503659
Reduced:	ClSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	3.2
IP(EA), eV:	-8.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CSCCC(C(=O)OCC1=CC=CC=C1C#N)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations