Geometry & MOs

Info

ID:	16258
PubChem CID:	462845
Reduced:	SO3H16C19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	324.082016
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	6.69
IP(EA), eV:	-8.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-2-hydroxy-6-(2-methylphenyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

DOS

IR

Vibrations