Geometry & MOs

Info

ID:	195845
PubChem CID:	78742446
Reduced:	OF2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	407.01685
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	2.86
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CNC(C)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations