Geometry & MOs

Info

ID:	83554
PubChem CID:	49857876
Reduced:	BClN2O4C25H26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	315.085521
ΔH_f, kcal/mol:	-200.67
Dipole, Da:	1.23
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitrophenyl)-3-(pyridine-3-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

B([C@H](CC1=CC=CC=C1C)NC(=O)CC(C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3)(O)O

DOS

IR

Vibrations