Geometry & MOs

Info

ID:	183775
PubChem CID:	77069331
Reduced:	ClFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	253.075036
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	7.39
IP(EA), eV:	-9.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethoxycarbonylamino)-2-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=C(C#N)C2=CC=CC=C2)Cl

DOS

IR

Vibrations