Geometry & MOs

Info

ID:	69134
PubChem CID:	46519480
Reduced:	FSO4N5H16C20 (1)
Stoich.:	ABC4D5E16F20 (1)
Weight, g/mol:	439.04306
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	7.82
IP(EA), eV:	-9.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations