Geometry & MOs

Info

ID:	16415
PubChem CID:	467695
Reduced:	SO3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	340.113316
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	3.34
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)C3=CC=CC=C3)O

DOS

IR

Vibrations