Geometry & MOs

Info

ID:

215481

PubChem CID:

85084802

Reduced:

O10C23H37 (2)

Stoich.:

A10B23C37 (2)

Weight, g/mol:

947.335403

ΔHf, kcal/mol:

-950.12

Dipole, Da:

3.4

IP(EA), eV:

 -9.46(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-[6-[[ethoxy-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]phosphoryl]amino]purin-9-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C(CC(=C(C)C(=O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)O

DOS

IR

Vibrations