Geometry & MOs

Info

ID:	409989
PubChem CID:	135082776
Reduced:	NS2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	357.070465
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	10.11
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydrogen sulfate;1-[5-(4-methylphenyl)-1,3-oxathiol-2-ylidene]piperidin-1-ium

Drug info:

PubChemData

Smile

C[N+](=C1OC(=CS1)C2=CC=CC=C2)C.OS(=O)(=O)[O-]

DOS

IR

Vibrations