Geometry & MOs

Info

ID:	409990
PubChem CID:	135082777
Reduced:	NS2O5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	260.11091
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	30.88
IP(EA), eV:	-8.44(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)O2.OS(=O)(=O)[O-]

DOS

IR

Vibrations