Geometry & MOs

Info

ID:	299060
PubChem CID:	117670404
Reduced:	F3O4N6C26H27 (1)
Stoich.:	A3B4C6D26E27 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-240.89
Dipole, Da:	3.85
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino (2S,3R)-2-amino-3-phenylmethoxybutanoate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)N[C@@H]3CC4=CC=CC=C4[C@H]3N(C)C(=O)CO)C(F)(F)F)OC

DOS

IR

Vibrations