Geometry & MOs

Info

ID:

215138

PubChem CID:

85084219

Reduced:

N4O12C35H50 (1)

Stoich.:

A4B12C35D50 (1)

Weight, g/mol:

716.924208

ΔHf, kcal/mol:

-408.02

Dipole, Da:

12.05

IP(EA), eV:

 -9.34(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[[5-[6-amino-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-dichloromethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C3NNNN3)CCC(=C)C(C(C)CC4=CC=CC=C4)OC(=O)C)O

DOS

IR

Vibrations