Geometry & MOs

Info

ID:

434191

PubChem CID:

135174361

Reduced:

ON2C3H4 (3)

Stoich.:

AB2C3D4 (3)

Weight, g/mol:

705.070252

ΔHf, kcal/mol:

-24.03

Dipole, Da:

8.85

IP(EA), eV:

-9.68(-1.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-amino-3-[(2R,3R,5S)-3-[[(1R,4S)-4-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C3=NC(=NC(=O)C3=NN2)N

DOS

IR

Vibrations