Geometry & MOs

Info

ID:

434157

PubChem CID:

135174320

Reduced:

F2P2S2N8O9C21H24 (1)

Stoich.:

A2B2C2D8E9F21G24 (1)

Weight, g/mol:

721.101553

ΔHf, kcal/mol:

-529.67

Dipole, Da:

4.57

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[(1R,6R,9R,10R,15S)-9-(6-aminopurin-9-yl)-3,12-dihydroxy-9-methoxy-6-methyl-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-1-yl]-2,4-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C2C=CNC3=O)COP(=S)(O)O[C@]4(CC(OC4COP(=S)(O)O)N5C=NC6=C(N=CN=C65)N)F)F

DOS

IR

Vibrations