Geometry & MOs

Info

ID:	243719
PubChem CID:	99234284
Reduced:	FSN3O3C21H34 (1)
Stoich.:	ABC3D3E21F34 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-188.32
Dipole, Da:	1.84
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2-propoxypyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)F)C

DOS

IR

Vibrations