Geometry & MOs

Info

ID:	218302
PubChem CID:	85089148
Reduced:	FO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	446.139924
ΔH_f, kcal/mol:	-293.54
Dipole, Da:	2.23
IP(EA), eV:	-8.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(benzenesulfonyl)phenyl]-2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-2H-pyran-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=C(C2=C(C=CC(=C2C=C1)OC)F)OC(C)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations