Geometry & MOs

Info

ID:	413397
PubChem CID:	135086346
Reduced:	BrNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	185.988385
ΔH_f, kcal/mol:	25.82
Dipole, Da:	5.94
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-fluorophenyl)-2-oxoacetaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C#CC1=CC=C(C=C1)Br)C2=CC=CC=C2

DOS

IR

Vibrations