Geometry & MOs

Info

ID:

426931

PubChem CID:

135154593

Reduced:

O3N5C19H21 (1)

Stoich.:

A3B5C19D21 (1)

Weight, g/mol:

601.238939

ΔHf, kcal/mol:

-29.1

Dipole, Da:

4.32

IP(EA), eV:

 -8.89(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CN2C(=O)NN=C2N=C1N3CCC(CC3)OC4=CC5=C(COC5)C=C4

DOS

IR

Vibrations