Geometry & MOs

Info

ID:	9588
PubChem CID:	91263
Reduced:	O7C26H36 (1)
Stoich.:	A7B26C36 (1)
Weight, g/mol:	460.246104
ΔH_f, kcal/mol:	-336.66
Dipole, Da:	7.93
IP(EA), eV:	-9.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)CCC45C)O)C)OC(O2)(C)C

DOS

IR

Vibrations