Geometry & MOs

Info

ID:

309429

PubChem CID:

126546207

Reduced:

SO6C28H38 (1)

Stoich.:

AB6C28D38 (1)

Weight, g/mol:

733.334123

ΔHf, kcal/mol:

-261.54

Dipole, Da:

8.68

IP(EA), eV:

 -9.71(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[2,2-dimethylpropanoyl(methyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC(=O)C(CC)CCCC

DOS

IR

Vibrations