Geometry & MOs

Info

ID:

307977

PubChem CID:

125311072

Reduced:

SO3N4C26H26 (1)

Stoich.:

AB3C4D26E26 (1)

Weight, g/mol:

432.194817

ΔHf, kcal/mol:

-17.61

Dipole, Da:

8.31

IP(EA), eV:

 -8.53(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,5S,6R,10S,12R,13R,15S,21S)-15-fluoro-6-(2-hydroxyacetyl)-5,8,8,21-tetramethyl-2,7,9-trioxahexacyclo[11.8.0.01,3.05,12.06,10.016,21]henicosa-16,19-dien-18-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC[C@H]3C(=O)NCCC4=C5C=CC=CC5=NC4

DOS

IR

Vibrations