Geometry & MOs

Info

ID:

434449

PubChem CID:

135174945

Reduced:

ON2C17H36 (1)

Stoich.:

AB2C17D36 (1)

Weight, g/mol:

728.036173

ΔHf, kcal/mol:

-95.11

Dipole, Da:

1.3

IP(EA), eV:

-8.04(2.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-9-[(1S,6R,9S,10R,15R,17R)-9-(6-aminopurin-9-yl)-9,18,18-trifluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-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(CCOCC(C)(C)C)N1CCN(CC1)C(C)(C)C

DOS

IR

Vibrations