Geometry & MOs

Info

ID:	373940
PubChem CID:	131321539
Reduced:	ClFNSO2H5C10 (1)
Stoich.:	ABCDE2F5G10 (1)
Weight, g/mol:	289.97092
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	0.95
IP(EA), eV:	-10.06(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethoxyphenyl)-1-chloropropan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC(=O)C(S2)C=O)Cl)F

DOS

IR

Vibrations