Geometry & MOs

Info

ID:	387848
PubChem CID:	134987129
Reduced:	OSH8C10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	177.037411
ΔH_f, kcal/mol:	16.56
Dipole, Da:	4.82
IP(EA), eV:	-8.52(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methylisothiochromenylium-4-ol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=[S+]1)[O-]

DOS

IR

Vibrations