Geometry & MOs

Info

ID:	221064
PubChem CID:	85256709
Reduced:	SO2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	5.29
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-triethyl-4-oxatricyclo[5.2.1.02,6]decane-3,8,9-triol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC(=CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations