Geometry & MOs

Info

ID:	189126
PubChem CID:	77820575
Reduced:	O4C11H16 (2)
Stoich.:	A4B11C16 (2)
Weight, g/mol:	398.230453
ΔH_f, kcal/mol:	-390.72
Dipole, Da:	8.58
IP(EA), eV:	-10.52(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[11-tert-butyl-2-hydroxy-8-[(3-hydroxy-4-methyloxolan-2-yl)methyl]-4,6-dioxatricyclo[6.3.0.01,5]undecan-9-yl] acetate

Drug info:

PubChemData

Smile

CCC(=O)OC(CC12C3CC(C14CC(=O)OC4OC2C(=O)O3)C(C)(C)C)C(C)(C)O

DOS

IR

Vibrations