Geometry & MOs

Info

ID:	83363
PubChem CID:	49857497
Reduced:	BFN2O4C24H24 (1)
Stoich.:	ABC2D4E24F24 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-230.04
Dipole, Da:	1.49
IP(EA), eV:	-9.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamido-3-(3-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

B([C@H](CC1=CC=CC=C1)NC(=O)CC(C2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3)(O)O

DOS

IR

Vibrations