Geometry & MOs

Info

ID:

434431

PubChem CID:

135174917

Reduced:

ON5C29H61 (1)

Stoich.:

AB5C29D61 (1)

Weight, g/mol:

692.066068

ΔHf, kcal/mol:

-118.92

Dipole, Da:

1.84

IP(EA), eV:

 -8.0(2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,6R,10R,18R)-8-(6-aminopurin-9-yl)-9-chloro-3,12,18-trihydroxy-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)N1CCN(CC1)CCOCCCNC(C)(C)CCC(C)(C)N2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations