Geometry & MOs

Info

ID:	372668
PubChem CID:	131301840
Reduced:	INSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	286.95689
ΔH_f, kcal/mol:	2.58
Dipole, Da:	4.21
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-bromo-4-fluorophenyl)-2,2,2-trifluoroethyl]hydroxylamine

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)I)C#N)CC(=O)O

DOS

IR

Vibrations