Geometry & MOs

Info

ID:	409571
PubChem CID:	135082353
Reduced:	OSH6C9 (1)
Stoich.:	ABC6D9 (1)
Weight, g/mol:	163.021761
ΔH_f, kcal/mol:	23.77
Dipole, Da:	5.42
IP(EA), eV:	-8.76(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

isothiochromenylium-4-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=[S+]C=C2[O-]

DOS

IR

Vibrations