Geometry & MOs

Info

ID:	82867
PubChem CID:	49856718
Reduced:	BFN2O4C21H26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	302.106671
ΔH_f, kcal/mol:	-271.88
Dipole, Da:	1.39
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C2=CC=CC=C2)(O)O

DOS

IR

Vibrations