Geometry & MOs

Info

ID:	373386
PubChem CID:	131314445
Reduced:	SBr2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	311.93643
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	4.26
IP(EA), eV:	-9.23(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-6-(difluoromethoxy)phenyl]-1-chloropropan-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CC(=O)O)SC(=C2CBr)Br

DOS

IR

Vibrations