Geometry & MOs

Info

ID:	355200
PubChem CID:	127288132
Reduced:	NSO2F3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	299.099143
ΔH_f, kcal/mol:	-185.72
Dipole, Da:	4.09
IP(EA), eV:	-9.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CN2S(=O)(=O)C3=C(C=C(C(=C3)F)F)F

DOS

IR

Vibrations