Geometry & MOs

Info

ID:	383163
PubChem CID:	134974734
Reduced:	O9C24H34 (1)
Stoich.:	A9B24C34 (1)
Weight, g/mol:	466.220283
ΔH_f, kcal/mol:	-376.58
Dipole, Da:	2.68
IP(EA), eV:	-10.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O,6-O-diethyl 1-O-methyl (E)-11-(oxan-2-yloxy)-5-oxoundec-1-en-8-yne-1,4,6-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(C(C1=O)(CC#CCCOC2CCCCO2)C(=O)OCC)CC(=O)OC

DOS

IR

Vibrations