Geometry & MOs

Info

ID:	361069
PubChem CID:	127301959
Reduced:	S2N3O3C17H27 (1)
Stoich.:	A2B3C3D17E27 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-110.59
Dipole, Da:	5.88
IP(EA), eV:	-8.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations