Geometry & MOs

Info

ID:	410109
PubChem CID:	135082898
Reduced:	ClSO5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	253.068711
ΔH_f, kcal/mol:	64.17
Dipole, Da:	16.17
IP(EA), eV:	-9.46(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-benzyl-5-phenyl-1,3-oxathiol-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=[O+]C(=CS2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations