Geometry & MOs

Info

ID:	141050
PubChem CID:	52809988
Reduced:	OSN5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	374.280752
ΔH_f, kcal/mol:	79.55
Dipole, Da:	6.3
IP(EA), eV:	-8.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-1-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-hexylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC2=C3C(=CSC3=NC(=N2)COC)C4=CC=CC=C4

DOS

IR

Vibrations