Geometry & MOs

Info

ID:	270598
PubChem CID:	103637221
Reduced:	NSO2F3C11H14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	285.020197
ΔH_f, kcal/mol:	-222.41
Dipole, Da:	3.86
IP(EA), eV:	-8.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CNCCSC(F)(F)F

DOS

IR

Vibrations