Geometry & MOs

Info

ID:	322694
PubChem CID:	126670844
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	311.06332
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	3.29
IP(EA), eV:	-9.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-N-(6-bromo-3-methylpyridin-2-yl)-3,4-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1N(C(=O)CS1)C

DOS

IR

Vibrations