Geometry & MOs

Info

ID:

309354

PubChem CID:

126545610

Reduced:

SO4C12H16 (1)

Stoich.:

AB4C12D16 (1)

Weight, g/mol:

590.313806

ΔHf, kcal/mol:

-160.22

Dipole, Da:

4.83

IP(EA), eV:

 -9.86(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S,10R,11S,12S,16R)-10-(4-azidobutyl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1=CC=CC=C1)S(=O)(=O)C

DOS

IR

Vibrations