Geometry & MOs

Info

ID:

398377

PubChem CID:

135033019

Reduced:

Si2N6O13C45H72 (1)

Stoich.:

A2B6C13D45E72 (1)

Weight, g/mol:

548.332187

ΔHf, kcal/mol:

-615.99

Dipole, Da:

5.41

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[[(2S,3S)-6-[3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]propylidene]-3-methyloxan-2-yl]methoxy]-diphenylsilane

Drug info:

PubChemData

Smile

CCC1(OC2[C@H](O[C@H](C2O1)O[C@H]([C@@H]3C(C([C@@H](O3)N4C=CC(=O)NC4=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(C(=O)OC(C)(C)C)NC(=O)OCC5=CC=CC=C5)CN=[N+]=[N-])CC

DOS

IR

Vibrations