Geometry & MOs

Info

ID:	124952
PubChem CID:	50905174
Reduced:	ClN5O5C12H16 (1)
Stoich.:	AB5C5D12E16 (1)
Weight, g/mol:	358.12772
ΔH_f, kcal/mol:	-164.71
Dipole, Da:	3.07
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations