Geometry & MOs

Info

ID:

434184

PubChem CID:

135174347

Reduced:

P2S2N10O11C21H24 (1)

Stoich.:

A2B2C10D11E21F24 (1)

Weight, g/mol:

726.022752

ΔHf, kcal/mol:

-436.06

Dipole, Da:

4.66

IP(EA), eV:

 -9.1(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,6R,8R,10R,15R,17R,18S)-8-(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-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H]2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)OP(=O)(OCC56COC(C5OP(=S)(O1)O)C(O6)N7C=NC8=C(N=CN=C87)N)S)O

DOS

IR

Vibrations