Geometry & MOs

Info

ID:

47205

PubChem CID:

10530630

Reduced:

PSiO2N4C30H39 (1)

Stoich.:

ABC2D4E30F39 (1)

Weight, g/mol:

546.392039

ΔHf, kcal/mol:

-73.04

Dipole, Da:

0.47

IP(EA), eV:

 -8.87(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5S)-5,6-dimethyl-2-[(1'S,2'R,4'R,8'S,13'S,14'S,17'R,18'S)-2',6',6',18'-tetramethylspiro[1,3-dioxolane-2,11'-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icosane]-17'-yl]hept-6-ene-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)N1N=C2CCCC[C@@]23[P@@]1/C(=C(\C(C)(C)C)/O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)/N=N3

DOS

IR

Vibrations