Geometry & MOs

Info

ID:	353818
PubChem CID:	127285454
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	273.083493
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	3.63
IP(EA), eV:	-9.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-4-methylphenyl)sulfonyl-1,4-oxazepane

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)NCC2CCC=CC2

DOS

IR

Vibrations