Geometry & MOs

Info

ID:	220849
PubChem CID:	85240174
Reduced:	SO3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	5.62
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,10-trimethyl-6,14-dioxatetracyclo[10.3.1.02,10.05,9]hexadecan-13-one

Drug info:

PubChemData

Smile

CC(=O)C1CCC(=CC1OC)S(=O)C2=CC=CC=C2

DOS

IR

Vibrations