Geometry & MOs

Info

ID:	223382
PubChem CID:	85334943
Reduced:	ClSN2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	4.35
IP(EA), eV:	-9.49(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-N-(3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidoyl chloride

Drug info:

PubChemData

Smile

COC(=O)C=C1C(=O)N=C(S1)NC2=CC=CC=C2Cl

DOS

IR

Vibrations