Geometry & MOs

Info

ID:

297715

PubChem CID:

117626691

Reduced:

SN3O4C26H33 (1)

Stoich.:

AB3C4D26E33 (1)

Weight, g/mol:

490.329439

ΔHf, kcal/mol:

-133.09

Dipole, Da:

5.24

IP(EA), eV:

 -8.44(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S,6R,7S,8R,9S,12S,13R,16S,18S,19R,20R)-19,20-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC(=CC2=C1OCC2)C3=CC4=C(C=C3)NC(=C4)CN5CCC[C@@H]5CO

DOS

IR

Vibrations