Geometry & MOs

Info

ID:	269825
PubChem CID:	103619267
Reduced:	NSF3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	302.98631
ΔH_f, kcal/mol:	-254.19
Dipole, Da:	1.59
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNCCSC(F)(F)F

DOS

IR

Vibrations