Geometry & MOs

Info

ID:	315805
PubChem CID:	126628857
Reduced:	FN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	242.050985
ΔH_f, kcal/mol:	-154.59
Dipole, Da:	6.54
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-(3-chlorophenyl)-2-fluorobut-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)N3C[C@@H](C[C@H]3C(=O)OC)F

DOS

IR

Vibrations