Geometry & MOs

Info

ID:	344990
PubChem CID:	127268750
Reduced:	FNSO5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-192.8
Dipole, Da:	3.71
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=C(C=CC(=C2)F)OC1)NS(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations