Geometry & MOs

Info

ID:	37762
PubChem CID:	8024175
Reduced:	F3N3O4H12C18 (1)
Stoich.:	A3B3C4D12E18 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-217.01
Dipole, Da:	6.41
IP(EA), eV:	-9.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations