Geometry & MOs

Info

ID:	394359
PubChem CID:	135022836
Reduced:	SiO3C24H46 (1)
Stoich.:	AB3C24D46 (1)
Weight, g/mol:	408.287574
ΔH_f, kcal/mol:	-236.43
Dipole, Da:	5.71
IP(EA), eV:	-8.61(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 9-oxooctadec-10-ynoate

Drug info:

PubChemData

Smile

CCCCC/1CCCCOC(=O)/C(=C1)/CCCO[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations