Geometry & MOs

Info

ID:	86505
PubChem CID:	49886348
Reduced:	BrNSF2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	309.023785
ΔH_f, kcal/mol:	-247.12
Dipole, Da:	3.78
IP(EA), eV:	-9.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN(C1=C(C=C(C=C1Br)F)F)S(=O)(=O)C

DOS

IR

Vibrations