Geometry & MOs

Info

ID:	35830
PubChem CID:	7980380
Reduced:	BrClNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	418.119858
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	0.83
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)COC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations