Geometry & MOs

Info

ID:	23670
PubChem CID:	605359
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	206.051384
ΔH_f, kcal/mol:	58.69
Dipole, Da:	2.34
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-oxido-5-phenyl-4H-imidazol-1-ium-2-thiol

Drug info:

PubChemData

Smile

CC1C(=[N+](C(=N1)S)[O-])C2=CC=CC=C2

DOS

IR

Vibrations