Geometry & MOs

Info

ID:	262520
PubChem CID:	103297983
Reduced:	BrFNSO2H11C13 (1)
Stoich.:	ABCDE2F11G13 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	4.3
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylamino)ethyl] 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCC2=CC=C(S2)Br)N

DOS

IR

Vibrations