Geometry & MOs

Info

ID:	353800
PubChem CID:	127285436
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	299.099143
ΔH_f, kcal/mol:	-150.42
Dipole, Da:	4.55
IP(EA), eV:	-9.47(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-4-methylphenyl)sulfonyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)N1CCOC2C1CCC2

DOS

IR

Vibrations