Geometry & MOs

Info

ID:

434283

PubChem CID:

135174581

Reduced:

N2S2O3C24H38 (1)

Stoich.:

A2B2C3D24E38 (1)

Weight, g/mol:

698.099955

ΔHf, kcal/mol:

-134.16

Dipole, Da:

4.12

IP(EA), eV:

 -8.8(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(6R,15R)-8-(6-aminopurin-9-yl)-6-ethynyl-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=CC=C(C=C1)CCCN2CCN(C[C@@H]2CO)CC(=O)C(C)(C)SS

DOS

IR

Vibrations