Geometry & MOs

Info

ID:	269826
PubChem CID:	103619274
Reduced:	NSCl2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	325.095949
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethylsulfanyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCSC(F)(F)F)Cl)Cl

DOS

IR

Vibrations