Geometry & MOs

Info

ID:

91

PubChem CID:

2104

Reduced:

FP3N7O18C23H37 (1)

Stoich.:

AB3C7D18E23F37 (1)

Weight, g/mol:

811.139197

ΔHf, kcal/mol:

-987.28

Dipole, Da:

16.75

IP(EA), eV:

 -9.64(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]-2-fluorobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCC(C(=O)O)F)O

DOS

IR

Vibrations