Geometry & MOs

Info

ID:	338575
PubChem CID:	127259586
Reduced:	O4N5C15H21 (1)
Stoich.:	A4B5C15D21 (1)
Weight, g/mol:	652.96321
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	1.69
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[6-[[(2R)-1-(4-hydroxy-3,5-diiodophenyl)propan-2-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)/C=C/NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations