Geometry & MOs

Info

ID:	141639
PubChem CID:	52906077
Reduced:	FSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	330.164009
ΔH_f, kcal/mol:	-28.61
Dipole, Da:	1.91
IP(EA), eV:	-8.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-ethylsulfanylphenyl)-[4-(1H-imidazol-3-ium-3-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C(=NS3)C4=CC(=CC=C4)F)N

DOS

IR

Vibrations