Geometry & MOs

Info

ID:	344991
PubChem CID:	127268751
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-146.46
Dipole, Da:	4.5
IP(EA), eV:	-9.46(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-2-ylmethylsulfonyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCOC2C1CCC2

DOS

IR

Vibrations