Geometry & MOs

Info

ID:	86506
PubChem CID:	49886406
Reduced:	ClFNSO4C11H13 (1)
Stoich.:	ABCDE4F11G13 (1)
Weight, g/mol:	295.008135
ΔH_f, kcal/mol:	-205.38
Dipole, Da:	3.26
IP(EA), eV:	-9.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=C(C=C(C=C1)Cl)F)S(=O)(=O)C

DOS

IR

Vibrations