Geometry & MOs

Info

ID:

434181

PubChem CID:

135174344

Reduced:

FPSO4N5C10H13 (1)

Stoich.:

ABCD4E5F10G13 (1)

Weight, g/mol:

732.049931

ΔHf, kcal/mol:

-229.07

Dipole, Da:

2.87

IP(EA), eV:

-9.02(-0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-9-[(1S,6R,9R,10R,15R,17R,18S)-9-(6-aminopurin-9-yl)-6-ethynyl-18-fluoro-3,9,12-trihydroxy-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

C1[C@@H](C(OC1COP(=S)(O)O)N2C=NC3=C(N=CN=C32)N)F

DOS

IR

Vibrations