Geometry & MOs

Info

ID:	320908
PubChem CID:	126664230
Reduced:	FO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	284.10823
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	5.35
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2,2-dimethyloxan-4-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)C3=CN(N=C3)CCF)O[C@H](C)C4CC(=O)NC4

DOS

IR

Vibrations