Geometry & MOs

Info

ID:

434294

PubChem CID:

135174608

Reduced:

P2S2N9O9C21H27 (1)

Stoich.:

A2B2C9D9E21F27 (1)

Weight, g/mol:

708.049931

ΔHf, kcal/mol:

-408.74

Dipole, Da:

13.15

IP(EA), eV:

 -8.09(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(6R,15R)-8-(6-aminopurin-9-yl)-9-fluoro-3,18-dihydroxy-12-oxo-12-sulfanyl-3-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

C1CC(OC1COP(=O)(O[C@@H]2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=S)(O)O)S)N5C=CC6=C(N=CN=C65)N

DOS

IR

Vibrations