Geometry & MOs

Info

ID:	219493
PubChem CID:	85148757
Reduced:	O3C16H18 (2)
Stoich.:	A3B16C18 (2)
Weight, g/mol:	516.329833
ΔH_f, kcal/mol:	-225.07
Dipole, Da:	4.4
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(7a-ethoxy-2,4a-dihydroxy-5-oxo-2,3,4,7-tetrahydrofuro[3,4-b]pyran-7-yl)-2-hydroxyethyl] hexadecanoate

Drug info:

PubChemData

Smile

CC1(OCC(C(O1)CCC2=CC=CC(=C2)CCC3=CC=C(C=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations