Geometry & MOs

Info

ID:	231423
PubChem CID:	87573672
Reduced:	SiO4C26H47 (1)
Stoich.:	AB4C26D47 (1)
Weight, g/mol:	454.347837
ΔH_f, kcal/mol:	-220.68
Dipole, Da:	7.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751138
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[dimethyl(octadecyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC=C(C(=O)O)C(C)(C)CC(=O)O[Si]

DOS

IR

Vibrations