Geometry & MOs

Info

ID:	217242
PubChem CID:	85087489
Reduced:	F3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	346.141638
ΔH_f, kcal/mol:	-341.06
Dipole, Da:	3.27
IP(EA), eV:	-9.36(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC(CCC1=CC=CC=C1)C2C(OC(O2)(C)C)C(F)(F)F

DOS

IR

Vibrations