Geometry & MOs

Info

ID:	409992
PubChem CID:	135082779
Reduced:	NS2O6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	276.105825
ΔH_f, kcal/mol:	-184.92
Dipole, Da:	19.21
IP(EA), eV:	-7.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)O2.OS(=O)(=O)[O-]

DOS

IR

Vibrations