Geometry & MOs

Info

ID:	346223
PubChem CID:	127270714
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-195.81
Dipole, Da:	5.33
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations