Geometry & MOs

Info

ID:

190328

PubChem CID:

77985931

Reduced:

PN7O9C21H26 (1)

Stoich.:

AB7C9D21E26 (1)

Weight, g/mol:

553.148626

ΔHf, kcal/mol:

-363.3

Dipole, Da:

3.73

IP(EA), eV:

 -9.01(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[5-(2,6-diaminopurin-9-yl)-4-fluoro-3-hydroxy-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=C2COP(=O)(OCC2=C1OC(=O)C)OCC3C(C(C(O3)N4C=NC5=C(N=C(N=C54)N)N)(C)O)O

DOS

IR

Vibrations