Geometry & MOs

Info

ID:	124951
PubChem CID:	50905173
Reduced:	N5O5C12H17 (1)
Stoich.:	A5B5C12D17 (1)
Weight, g/mol:	345.083996
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	0.64
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](CO)O)O)O

DOS

IR

Vibrations