Geometry & MOs

Info

ID:

426979

PubChem CID:

135154854

Reduced:

O3N5C25H27 (1)

Stoich.:

A3B5C25D27 (1)

Weight, g/mol:

544.223291

ΔHf, kcal/mol:

-65.65

Dipole, Da:

3.29

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 3-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methyl-1-oxo-3-propylsulfanylpropan-2-yl)amino]phosphoryl]oxypropanoate

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1[C@H](C(=O)N1C(=O)NC(C)C2=CC=CC3=CC=CC=C32)CC4=CC(=NC=C4)N

DOS

IR

Vibrations