Geometry & MOs

Info

ID:

190329

PubChem CID:

77985932

Reduced:

FPN7O8C21H25 (1)

Stoich.:

ABC7D8E21F25 (1)

Weight, g/mol:

550.168947

ΔHf, kcal/mol:

-365.03

Dipole, Da:

6.55

IP(EA), eV:

 -8.49(-1.0)

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-4,5-dihydro-1H-pyrido[3,4-e][1,3,2]oxazaphosphepin-9-yl] acetate

Drug info:

PubChemData

Smile

CC1=NC=C2COP(=O)(OCC2=C1OC(=O)C)OCC3C(C(C(O3)N4C=NC5=C(N=C(N=C54)N)N)(C)F)O

DOS

IR

Vibrations