Geometry & MOs

Info

ID:	2162
PubChem CID:	6076
Reduced:	PN5O6C10H12 (1)
Stoich.:	AB5C6D10E12 (1)
Weight, g/mol:	329.05252
ΔH_f, kcal/mol:	-248.15
Dipole, Da:	2.81
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O

DOS

IR

Vibrations