Geometry & MOs

Info

ID:	387128
PubChem CID:	134984101
Reduced:	FNSCl3O4C11H11 (1)
Stoich.:	ABCD3E4F11G11 (1)
Weight, g/mol:	448.96697
ΔH_f, kcal/mol:	-199.87
Dipole, Da:	2.77
IP(EA), eV:	-10.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-fluorophenyl)-2-methyl-3-oxo-2-(2,2,2-trichloroethoxysulfonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)F)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations