Geometry & MOs

Info

ID:

390932

PubChem CID:

135001654

Reduced:

NC5H5 (3)

Stoich.:

AB5C5 (3)

Weight, g/mol:

768.93775

ΔHf, kcal/mol:

81.27

Dipole, Da:

2.75

IP(EA), eV:

 -8.13(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[dichloro(phosphonato)methyl]-[[(1R,2R,3S,4R)-2,3-dihydroxy-4-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]cyclopentyl]methoxy-oxidophosphoryl]oxyphosphinate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)C2=CC3=C(C=C2)NN=C3

DOS

IR

Vibrations