Geometry & MOs

Info

ID:

400589

PubChem CID:

135048431

Reduced:

NSiO5C21H30 (2)

Stoich.:

ABC5D21E30 (2)

Weight, g/mol:

342.27701

ΔHf, kcal/mol:

-455.11

Dipole, Da:

3.54

IP(EA), eV:

 -8.86(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z,2R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyltetradec-3-ene-1,5-diol

Drug info:

PubChemData

Smile

CC1=C2C(=C3[C@@H]4COC(=O)[C@@H](N4C(=O)[C@H](CC5=CC(=C(C(=C5)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C)NC(=O)CC=C)CC3=C1OCC=C)OCO2

DOS

IR

Vibrations