Geometry & MOs

Info

ID:	348882
PubChem CID:	127274601
Reduced:	SN2O5C15H24 (1)
Stoich.:	AB2C5D15E24 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	8.8
IP(EA), eV:	-9.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations