Geometry & MOs

Info

ID:	375710
PubChem CID:	134220905
Reduced:	PN5O9C19H30 (1)
Stoich.:	AB5C9D19E30 (1)
Weight, g/mol:	509.16755
ΔH_f, kcal/mol:	-430.76
Dipole, Da:	3.8
IP(EA), eV:	-8.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[2-[1-(2-amino-6-methoxypurin-9-yl)ethoxy]butoxy-hydroxyphosphoryl]oxyacetate

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@](C[C@H](O3)COP(=O)(O)OC(C)C(=O)OC(C)C)(C)O)N

DOS

IR

Vibrations