Geometry & MOs

Info

ID:	339948
PubChem CID:	127261957
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-131.74
Dipole, Da:	3.77
IP(EA), eV:	-9.08(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations