Geometry & MOs

Info

ID:

434100

PubChem CID:

135174258

Reduced:

FP2S2O9N10C20H25 (1)

Stoich.:

AB2C2D9E10F20G25 (1)

Weight, g/mol:

580.136601

ΔHf, kcal/mol:

-433.4

Dipole, Da:

12.76

IP(EA), eV:

 -9.1(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(3R)-3-[[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O[C@@H]2C(OC(C2F)N3C=NC4=C(N=CN=C43)N)COP(=S)(O)O)S)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations