Geometry & MOs

Info

ID:	139302
PubChem CID:	52507067
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	338.165071
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	6.64
IP(EA), eV:	-9.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

Drug info:

PubChemData

Smile

C1C[C@@]2(CN(C1)CC3=CC=CC=C3)C(=O)N(C(=O)N2)C[C@@H](CCC#N)C#N

DOS

IR

Vibrations