Geometry & MOs

Info

ID:

143688

PubChem CID:

53248016

Reduced:

NSiI2O2C17H25 (1)

Stoich.:

ABC2D2E17F25 (1)

Weight, g/mol:

585.293782

ΔHf, kcal/mol:

-102.81

Dipole, Da:

1.78

IP(EA), eV:

 -8.89(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxyethyl]-2-[(1S,3R,5S)-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-5-methyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-5-methyloxolane-3-carbonyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1(C2=C(C=CC(=C2)I)N(C1=O)C)CI

DOS

IR

Vibrations