Geometry & MOs

Info

ID:	199977
PubChem CID:	79326593
Reduced:	SO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	4.34
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-fluoro-6-(oxetan-3-ylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C1C(CO1)SCCOC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations