Geometry & MOs

Info

ID:	387017
PubChem CID:	134983686
Reduced:	SO3H22C24 (1)
Stoich.:	AB3C22D24 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	5.58
IP(EA), eV:	-9.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethoxy-2-nonyl-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H]([C@@H]([C@H]2S(=O)(=O)C)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations