Geometry & MOs

Info

ID:

190327

PubChem CID:

77985930

Reduced:

FPO7N8C23H30 (1)

Stoich.:

ABC7D8E23F30 (1)

Weight, g/mol:

551.152962

ΔHf, kcal/mol:

-335.94

Dipole, Da:

7.21

IP(EA), eV:

 -8.69(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[5-(2,6-diaminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]-8-methyl-3-oxo-1,5-dihydro-[1,3,2]dioxaphosphepino[5,6-c]pyridin-9-yl] acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OP(=O)(NC2)OCC3C(C(C(O3)N4C=NC5=C(N=C(N=C54)N)N)(C)F)O)COC(=O)C(C)C

DOS

IR

Vibrations