Geometry & MOs

Info

ID:	269829
PubChem CID:	103619294
Reduced:	NSF3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	309.101034
ΔH_f, kcal/mol:	-269.76
Dipole, Da:	4.4
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)CNCCSC(F)(F)F)OC

DOS

IR

Vibrations