Geometry & MOs

Info

ID:

218790

PubChem CID:

85089974

Reduced:

ClOSiN2H29C31 (1)

Stoich.:

ABCD2E29F31 (1)

Weight, g/mol:

509.115908

ΔHf, kcal/mol:

47.76

Dipole, Da:

2.02

IP(EA), eV:

 -8.4(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1(C2=C(C=CC(=C2)Cl)N(C(=O)N1)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6CC6

DOS

IR

Vibrations