Geometry & MOs

Info

ID:

434998

PubChem CID:

135176657

Reduced:

NC16H21 (1)

Stoich.:

AB16C21 (1)

Weight, g/mol:

695.065916

ΔHf, kcal/mol:

12.95

Dipole, Da:

3.47

IP(EA), eV:

 -8.08(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[3-[[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)-4-fluorooxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC2=CC(=CC=C2)C(C)C)C

DOS

IR

Vibrations