Geometry & MOs

Info

ID:	44069
PubChem CID:	10500648
Reduced:	F3N3O5C16H20 (1)
Stoich.:	A3B3C5D16E20 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-368.86
Dipole, Da:	8.89
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[NH3+].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations