Geometry & MOs

Info

ID:

431096

PubChem CID:

135171166

Reduced:

BrFN4H6C8 (1)

Stoich.:

ABC4D6E8 (1)

Weight, g/mol:

671.136675

ΔHf, kcal/mol:

45.46

Dipole, Da:

4.62

IP(EA), eV:

 -8.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1S,6S,10S,15R)-17-(2,6-diaminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,13,16-pentaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-3,7-dihydropurine-6,8-dione

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N2C(=C(C=N2)Br)N)F

DOS

IR

Vibrations