Geometry & MOs

Info

ID:	398456
PubChem CID:	135033353
Reduced:	NS2F3O4C14H18 (1)
Stoich.:	AB2C3D4E14F18 (1)
Weight, g/mol:	270.01168
ΔH_f, kcal/mol:	-305.33
Dipole, Da:	3.37
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodohexyl acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)C(F)(F)F

DOS

IR

Vibrations