Geometry & MOs

Info

ID:	139253
PubChem CID:	52498585
Reduced:	SO2N6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	332.179659
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	3.88
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-ethyl-5-propylthiophen-2-yl)-[(2S)-2-(1H-imidazol-3-ium-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=NC(=NC(=C23)N4CCN[C@@H](C4)C(=O)N)CN5CCOCC5

DOS

IR

Vibrations