Geometry & MOs

Info

ID:	193985
PubChem CID:	78464193
Reduced:	S2O3N5C17H23 (1)
Stoich.:	A2B3C5D17E23 (1)
Weight, g/mol:	244.191269
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	7.08
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hexyl 1-(1-hydroxy-2-methylpropan-2-yl)aziridin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N(CC)C2CCS(=O)(=O)C2)C3=CC=NC=C3

DOS

IR

Vibrations