Geometry & MOs

Info

ID:	46014
PubChem CID:	10520441
Reduced:	PO5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	330.167853
ΔH_f, kcal/mol:	-243.8
Dipole, Da:	4.51
IP(EA), eV:	-9.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6S,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]methyl 3-oxooctanoate

Drug info:

PubChemData

Smile

C/C(=C\CC(C)(C)CO)/CCC#CC(=O)CP(=O)(OC)OC

DOS

IR

Vibrations