Geometry & MOs

Info

ID:	65460
PubChem CID:	38671702
Reduced:	OSN2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	13.54
Dipole, Da:	4.34
IP(EA), eV:	-8.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations