Geometry & MOs

Info

ID:	276353
PubChem CID:	103822360
Reduced:	INO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	2.67
IP(EA), eV:	-9.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)I

DOS

IR

Vibrations