Geometry & MOs

Info

ID:	298540
PubChem CID:	117650882
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	326.170253
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	7.39
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-(3-aminopropoxy)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)S(=O)(=O)CC2CCOC2

DOS

IR

Vibrations