Geometry & MOs

Info

ID:

403563

PubChem CID:

135060808

Reduced:

FSO2N3H14C16 (1)

Stoich.:

ABC2D3E14F16 (1)

Weight, g/mol:

1052.583785

ΔHf, kcal/mol:

-19.51

Dipole, Da:

5.05

IP(EA), eV:

 -9.4(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R,4E,10R,13R,15R,18E,21S,23R)-23-[tert-butyl(dimethyl)silyl]oxy-13-[tert-butyl(diphenyl)silyl]oxy-15-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,10-dimethyl-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,18-dien-6-yn-17-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)C(F)S(=O)(=O)C3=CC=CC=N3

DOS

IR

Vibrations