Geometry & MOs

Info

ID:	308347
PubChem CID:	125326263
Reduced:	SN6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	409.123363
ΔH_f, kcal/mol:	137.47
Dipole, Da:	8.01
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,5S)-3,4-diacetyloxy-5-(6-amino-2-oxo-8H-purin-9-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCN1[C@@H](N=NC1=S)CN2C3=CC=CC=C3NN2

DOS

IR

Vibrations