Geometry & MOs

Info

ID:	409399
PubChem CID:	135082180
Reduced:	ClNO6C11H12 (1)
Stoich.:	ABC6D11E12 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	9.07
IP(EA), eV:	-9.54(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-2-(7-amino-3a,7a-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]O1)COC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations