Geometry & MOs

Info

ID:	376423
PubChem CID:	134222436
Reduced:	O2F13H15C26 (1)
Stoich.:	A2B13C15D26 (1)
Weight, g/mol:	302.172939
ΔH_f, kcal/mol:	-648.94
Dipole, Da:	7.78
IP(EA), eV:	-9.77(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-2-tert-butyl-4-(4-hydroxy-4-methylpentyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OC(/C(=C(/C(F)(F)F)\F)/F)(F)F)F)(F)F)F

DOS

IR

Vibrations