Geometry & MOs

Info

ID:	150297
PubChem CID:	53789985
Reduced:	SO3C23H32 (1)
Stoich.:	AB3C23D32 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-138.17
Dipole, Da:	3.72
IP(EA), eV:	-8.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10aH-cycloocta[b]pyran

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]([C@H]([C@@H]1S2)CCC(CC3=CC=CC=C3)O)CC=CCCCC(=O)O

DOS

IR

Vibrations