Geometry & MOs

Info

ID:	269838
PubChem CID:	103619317
Reduced:	NSO2F3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	301.086053
ΔH_f, kcal/mol:	-224.85
Dipole, Da:	3.38
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC)CNCCSC(F)(F)F

DOS

IR

Vibrations