Geometry & MOs

Info

ID:

434169

PubChem CID:

135174332

Reduced:

FPSO4N6C10H18 (1)

Stoich.:

ABCD4E6F10G18 (1)

Weight, g/mol:

726.022752

ΔHf, kcal/mol:

-233.73

Dipole, Da:

2.13

IP(EA), eV:

 -9.01(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,6R,10R,15R,18S)-9-(6-aminopurin-9-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-1-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CNN(C1[C@H](CC(O1)COP(=S)(O)O)F)C2=NC=NC(=C2N)N

DOS

IR

Vibrations