Geometry & MOs

Info

ID:	226816
PubChem CID:	87558484
Reduced:	FNCl2O3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	195.992722
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	3.55
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dioxo-3-phenylpropanoyl chloride

Drug info:

PubChemData

Smile

CC1([C@@H]([C@]1([C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)O)C=C(Cl)Cl)C

DOS

IR

Vibrations