Geometry & MOs

Info

ID:	440904
PubChem CID:	135232130
Reduced:	FSO3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	159.125929
ΔH_f, kcal/mol:	-125.2
Dipole, Da:	2.75
IP(EA), eV:	-9.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=O)S(=O)O)CF

DOS

IR

Vibrations