Geometry & MOs

Info

ID:

431091

PubChem CID:

135171161

Reduced:

O2N5C23H29 (1)

Stoich.:

A2B5C23D29 (1)

Weight, g/mol:

690.131255

ΔHf, kcal/mol:

28.78

Dipole, Da:

2.91

IP(EA), eV:

 -9.18(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1S,6R,10S,15R)-17-(2-amino-6-hydroxy-8-oxo-6,7-dihydro-3H-purin-9-yl)-3,12-dihydroxy-10-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NO2)C3CC3)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations