Geometry & MOs

Info

ID:	221656
PubChem CID:	85285837
Reduced:	O3C17H35 (2)
Stoich.:	A3B17C35 (2)
Weight, g/mol:	574.212216
ΔH_f, kcal/mol:	-412.0
Dipole, Da:	4.43
IP(EA), eV:	-10.15(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-benzoyloxy-7-(chloromethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOCC(C(C(C(CO)O)O)O)OCCCCCCCCCCCCCC

DOS

IR

Vibrations