Geometry & MOs

Info

ID:

394903

PubChem CID:

135024101

Reduced:

P2N7O11C18H25 (1)

Stoich.:

A2B7C11D18E25 (1)

Weight, g/mol:

579.124379

ΔHf, kcal/mol:

-508.58

Dipole, Da:

7.62

IP(EA), eV:

 -9.62(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-(6-aminopurin-9-yl)-3-[hydroxy-[(2R)-3-methoxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]phosphoryl]oxypropyl] methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H](COC)COP(=O)([O-])OC[C@H](COP(=O)([O-])OC)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations