Geometry & MOs

Info

ID:	337091
PubChem CID:	127256656
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	7.45
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one

Drug info:

PubChemData

Smile

C1CC(=O)O[C@H]([C@H]1S(=O)(=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations