Geometry & MOs

Info

ID:

427016

PubChem CID:

135155045

Reduced:

NF3O4C31H36 (1)

Stoich.:

AB3C4D31E36 (1)

Weight, g/mol:

608.252363

ΔHf, kcal/mol:

-286.64

Dipole, Da:

9.42

IP(EA), eV:

 -8.84(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methyl-1-propanoyloxypropan-2-yl)amino]phosphoryl]oxymethyl]-5-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C(C1CC1)C2=CC3=C(CCC4(O3)CCN(CC4)CC5=C(C=CC(=C5)C6CC6)OC(F)(F)F)C=C2)C(=O)O

DOS

IR

Vibrations