Geometry & MOs

Info

ID:	269834
PubChem CID:	103619304
Reduced:	NSF3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	356.9646
ΔH_f, kcal/mol:	-123.94
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CNCCSC(F)(F)F

DOS

IR

Vibrations