Geometry & MOs

Info

ID:	47289
PubChem CID:	10531253
Reduced:	ClO4F12C19H21 (1)
Stoich.:	AB4C12D19E21 (1)
Weight, g/mol:	576.363487
ΔH_f, kcal/mol:	-816.88
Dipole, Da:	3.59
IP(EA), eV:	-10.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4E,8E)-12-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,9,13-trimethyl-3-oxotetradeca-4,8-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(C[C@@H]([C@@H](C1)CC(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)C)C(=O)OCC

DOS

IR

Vibrations