Geometry & MOs

Info

ID:	205687
PubChem CID:	80134935
Reduced:	S2O3N4C11H14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	2.74
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-amino-6-methoxypurin-9-yl)-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1NC(=S)N2C3CCCS(=O)(=O)C3

DOS

IR

Vibrations