Geometry & MOs

Info

ID:	341227
PubChem CID:	127263662
Reduced:	ClNSF3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	257.025283
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	2.05
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)[C@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations