Geometry & MOs

Info

ID:	221519
PubChem CID:	85273810
Reduced:	FO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	312.103145
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	1.88
IP(EA), eV:	-9.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-7-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations