Geometry & MOs

Info

ID:	37462
PubChem CID:	8021372
Reduced:	FNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	394.99686
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	3.92
IP(EA), eV:	-8.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations