Geometry & MOs

Info

ID:

82193

PubChem CID:

49855743

Reduced:

NSiO3C16H29 (1)

Stoich.:

ABC3D16E29 (1)

Weight, g/mol:

650.382278

ΔHf, kcal/mol:

-173.83

Dipole, Da:

2.28

IP(EA), eV:

 -8.99(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,1S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-7-methyloct-4-en-3-one

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)[C@H](CC#N)O[Si](C)(C)C(C)(C)C)C=C)C

DOS

IR

Vibrations