Geometry & MOs

Info

ID:	410579
PubChem CID:	135083379
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	298.072417
ΔH_f, kcal/mol:	-105.43
Dipole, Da:	3.63
IP(EA), eV:	-9.55(0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2-(4-methylphenyl)-4-phenyl-1,3-thiazol-3-ium-5-thiol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H](C=C1)C)C(=O)C(C)(C)O

DOS

IR

Vibrations