Geometry & MOs

Info

ID:

228300

PubChem CID:

87563860

Reduced:

OSiC4H9 (1)

Stoich.:

ABC4D9 (1)

Weight, g/mol:

322.250795

ΔHf, kcal/mol:

-33.28

Dipole, Da:

2.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752162

Charge, e:

 0

Chem-info

IUPAC name:

16-[(2S,3R)-3-ethyloxiran-2-yl]hexadec-11-ynoic acid

Drug info:

PubChemData

Smile

CCCC[Si]=O

DOS

IR

Vibrations