Geometry & MOs

Info

ID:	16189
PubChem CID:	461100
Reduced:	SO4H26C31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	494.15518
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	7.03
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-[4-(naphthalen-2-ylmethoxy)phenyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations