Geometry & MOs

Info

ID:	178718
PubChem CID:	76372945
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	442.235539
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	3.4
IP(EA), eV:	-9.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-acetyloxyoctadeca-8,12,15-trien-4,6-diynoate

Drug info:

PubChemData

Smile

CCC=CCC=CCCCC(=O)C#CC#CCCC(=O)OCC1COC(O1)(C)C

DOS

IR

Vibrations