Geometry & MOs

Info

ID:

178838

PubChem CID:

76388507

Reduced:

FPN7O7C26H37 (1)

Stoich.:

ABC7D7E26F37 (1)

Weight, g/mol:

659.263262

ΔHf, kcal/mol:

-345.34

Dipole, Da:

4.73

IP(EA), eV:

 -9.21(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[[5-[2-amino-6-(cyclopentylamino)-4,5-dihydropurin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NP(=O)(OCC1C(C(C(O1)N2C=NC3C2N=C(N=C3NC4CCCC4)N)(C)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations