Geometry & MOs

Info

ID:	360491
PubChem CID:	127301136
Reduced:	SO3N6H12C13 (1)
Stoich.:	AB3C6D12E13 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	4.05
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=O)C=CN(C1=O)CC(=O)NC2=C(N3CCSC3=N2)C#N

DOS

IR

Vibrations