Geometry & MOs

Info

ID:	355138
PubChem CID:	127288070
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-190.18
Dipole, Da:	7.81
IP(EA), eV:	-8.79(-0.74)
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-4-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations