Geometry & MOs

Info

ID:	405475
PubChem CID:	135074136
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	398.13748
ΔH_f, kcal/mol:	-116.05
Dipole, Da:	3.57
IP(EA), eV:	-10.31(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,8S,13S)-8,11,11-trimethyl-2,14-dioxatetracyclo[6.4.1.11,10.04,13]tetradecan-10-yl]methyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC(=O)CCC#CCCCO

DOS

IR

Vibrations