Geometry & MOs

Info

ID:	126912
PubChem CID:	50984223
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	8.15
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-1-methyl-4-[(2-pyridin-4-ylsulfanylacetyl)amino]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1CCN2C(=CC(=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)C1

DOS

IR

Vibrations