Geometry & MOs

Info

ID:

385148

PubChem CID:

134978406

Reduced:

PN2O5C27H53 (1)

Stoich.:

AB2C5D27E53 (1)

Weight, g/mol:

809.301207

ΔHf, kcal/mol:

-344.72

Dipole, Da:

4.35

IP(EA), eV:

-9.19(0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

9-[(2R,4S,5R)-4-[benzylsulfanyl(methyl)phosphoryl]oxy-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-(2-methylpropylamino)-3H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COP(=O)(O)OCCC#N)NCCCCCC)O

DOS

IR

Vibrations