Geometry & MOs

Info

ID:	344148
PubChem CID:	127267324
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	4.35
IP(EA), eV:	-9.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-4-hydroxy-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-2-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1[C@@H]([C@H]([C@H](C1=O)O)C(=O)NCCC2=CC=CC=N2)C3=CC=CC=C3

DOS

IR

Vibrations