Geometry & MOs

Info

ID:	269828
PubChem CID:	103619293
Reduced:	SN2F3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	325.095949
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	4.68
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethylsulfanyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CNCCSC(F)(F)F)N=C1

DOS

IR

Vibrations