Geometry & MOs

Info

ID:	140689
PubChem CID:	52741297
Reduced:	SO2N3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	421.260351
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	10.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.914939
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)C[C@@H](C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3)C

DOS

IR

Vibrations