Geometry & MOs

Info

ID:

395810

PubChem CID:

135026629

Reduced:

SiO6C32H52 (1)

Stoich.:

AB6C32D52 (1)

Weight, g/mol:

733.386608

ΔHf, kcal/mol:

-306.51

Dipole, Da:

4.84

IP(EA), eV:

 -8.85(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4E,9R,10E,12E,14R,15R)-15-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-9-methoxy-14-(methoxymethoxy)-2,4,10-trimethyl-15-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pentadeca-4,10,12-trien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/CCC[C@H](/C(=C/C=C/[C@H]([C@@H](C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)OCOC)/C)OC)/C

DOS

IR

Vibrations