Geometry & MOs

Info

ID:	355201
PubChem CID:	127288133
Reduced:	FNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	273.083493
ΔH_f, kcal/mol:	-152.6
Dipole, Da:	3.88
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC3C2CCC3)F

DOS

IR

Vibrations