Geometry & MOs

Info

ID:

232749

PubChem CID:

87576868

Reduced:

ON3C12H17 (1)

Stoich.:

AB3C12D17 (1)

Weight, g/mol:

1197.40427

ΔHf, kcal/mol:

9.01

Dipole, Da:

2.56

IP(EA), eV:

 -9.18(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-(acetyloxymethoxymethyl)-2-[[[2-(acetyloxymethoxymethyl)-3-ethoxy-2-ethoxycarbonyl-3-oxopropoxy]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-[(4-methoxyphenyl)-diphenylmethoxy]methoxy]phosphoryl]oxymethyl]propanedioate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(CC=O)C2=CC=NC=C2

DOS

IR

Vibrations