Geometry & MOs

Info

ID:

434296

PubChem CID:

135174611

Reduced:

FSP2N9O10C21H26 (1)

Stoich.:

ABC2D9E10F21G26 (1)

Weight, g/mol:

711.040844

ΔHf, kcal/mol:

-491.44

Dipole, Da:

8.8

IP(EA), eV:

 -8.9(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,6R,10R,15R,17R,18R)-9-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-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

C1CC(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=S)(O)O)N5C=C(C6=C(N=CN=C65)N)F

DOS

IR

Vibrations