Geometry & MOs

Info

ID:	269836
PubChem CID:	103619307
Reduced:	NSO2F3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	291.09047
ΔH_f, kcal/mol:	-223.82
Dipole, Da:	3.98
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-prop-2-enoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations