Geometry & MOs

Info

ID:	339171
PubChem CID:	127260550
Reduced:	N5O6C22H25 (1)
Stoich.:	A5B6C22D25 (1)
Weight, g/mol:	308.123303
ΔH_f, kcal/mol:	-162.99
Dipole, Da:	6.42
IP(EA), eV:	-9.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)CO

DOS

IR

Vibrations