Geometry & MOs

Info

ID:	218143
PubChem CID:	85088946
Reduced:	O2H11C12F13 (1)
Stoich.:	A2B11C12D13 (1)
Weight, g/mol:	434.02264
ΔH_f, kcal/mol:	-743.29
Dipole, Da:	1.08
IP(EA), eV:	-10.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dihydroxy-2-iodo-8-methoxy-8-oxooct-6-enyl) benzoate

Drug info:

PubChemData

Smile

C(C=CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(CO)O

DOS

IR

Vibrations