Geometry & MOs

Info

ID:

309595

PubChem CID:

126550198

Reduced:

SF3O4N6C28H33 (1)

Stoich.:

AB3C4D6E28F33 (1)

Weight, g/mol:

342.064344

ΔHf, kcal/mol:

-254.45

Dipole, Da:

7.1

IP(EA), eV:

 -8.51(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,5R)-3-chloro-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CN=C(C=N3)N4CCC(CC4)C(O)O)CN5CCCCC5)C(F)(F)F

DOS

IR

Vibrations