Geometry & MOs

Info

ID:

435005

PubChem CID:

135177016

Reduced:

SF3O3N5C24H26 (1)

Stoich.:

AB3C3D5E24F26 (1)

Weight, g/mol:

709.047409

ΔHf, kcal/mol:

-189.44

Dipole, Da:

6.6

IP(EA), eV:

 -9.28(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-2-amino-6-[[(1R,6R,10S,15R,17R,18S)-9-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-12,18-dihydroxy-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]amino]-5-hydrazinylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=N2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations