Geometry & MOs

Info

ID:	293916
PubChem CID:	117415981
Reduced:	BrClFNOH4C8 (1)
Stoich.:	ABCDEF4G8 (1)
Weight, g/mol:	264.000093
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	2.76
IP(EA), eV:	-10.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloro-2,6-difluoro-4-hydroxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CN=C=O)Cl)F)Br

DOS

IR

Vibrations