Geometry & MOs

Info

ID:	409985
PubChem CID:	135082772
Reduced:	SCl2O5H10C15 (1)
Stoich.:	AB2C5D10E15 (1)
Weight, g/mol:	273.014089
ΔH_f, kcal/mol:	33.5
Dipole, Da:	6.53
IP(EA), eV:	-9.32(-4.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5-phenyl-1,3-oxathiol-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=[O+]2)C3=CC=C(C=C3)Cl.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations