Geometry & MOs

Info

ID:	144715
PubChem CID:	53402582
Reduced:	BrSN2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	187.02002
ΔH_f, kcal/mol:	73.0
Dipole, Da:	6.72
IP(EA), eV:	-8.8(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-chloro-3-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=CC=NC(=S)N2

DOS

IR

Vibrations