Geometry & MOs

Info

ID:	82107
PubChem CID:	49855616
Reduced:	PO4N5C14H18 (1)
Stoich.:	AB4C5D14E18 (1)
Weight, g/mol:	441.177721
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	3.51
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-cyclopropyl-3-(diethoxyphosphorylmethoxy)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

C1CC1[C@@]2(C[C@H](C=C2)N3C=NC4=C(N=CN=C43)N)OCP(=O)(O)O

DOS

IR

Vibrations