Geometry & MOs

Info

ID:

394896

PubChem CID:

135024073

Reduced:

Si2O11C48H86 (1)

Stoich.:

A2B11C48D86 (1)

Weight, g/mol:

468.327101

ΔHf, kcal/mol:

-634.35

Dipole, Da:

4.43

IP(EA), eV:

 -8.92(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate

Drug info:

PubChemData

Smile

CC[C@@H](COCC1=CC=CC=C1)/C=C(/C)\[C@@H]2C[C@H](C[C@@H](C(C(=O)[C@@H]([C@@H](C[C@H](C[C@H]([C@@H](C(=O)O2)OCOC)C)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C)(C)C)O)OC

DOS

IR

Vibrations