Geometry & MOs

Info

ID:	337578
PubChem CID:	127258201
Reduced:	N6O6C13H18 (1)
Stoich.:	A6B6C13D18 (1)
Weight, g/mol:	355.112798
ΔH_f, kcal/mol:	-190.67
Dipole, Da:	4.35
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

COC(=O)CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O

DOS

IR

Vibrations