Geometry & MOs

Info

ID:	47159
PubChem CID:	10530057
Reduced:	N3O7C28H33 (1)
Stoich.:	A3B7C28D33 (1)
Weight, g/mol:	523.18894
ΔH_f, kcal/mol:	-282.42
Dipole, Da:	6.86
IP(EA), eV:	-9.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,4R)-2-(6-aminopurin-9-yl)-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclobutyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CCC(=O)O

DOS

IR

Vibrations