Geometry & MOs

Info

ID:	36538
PubChem CID:	8008104
Reduced:	BrFNO4C15H19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-205.09
Dipole, Da:	0.6
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(benzenesulfonamido)acetate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)COC1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations