Geometry & MOs

Info

ID:	410107
PubChem CID:	135082896
Reduced:	BrOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	191.053061
ΔH_f, kcal/mol:	14.05
Dipole, Da:	6.5
IP(EA), eV:	-8.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=[O+]C(=CS1)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations