Geometry & MOs

Info

ID:	355202
PubChem CID:	127288134
Reduced:	FNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	287.099143
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	4.56
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCOCC2)F

DOS

IR

Vibrations