Geometry & MOs

Info

ID:	192540
PubChem CID:	78283998
Reduced:	BrFSN2O5C19H20 (1)
Stoich.:	ABCD2E5F19G20 (1)
Weight, g/mol:	446.187543
ΔH_f, kcal/mol:	-207.81
Dipole, Da:	5.38
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations