Geometry & MOs

Info

ID:	353858
PubChem CID:	127285498
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	287.099143
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	4.09
IP(EA), eV:	-9.35(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)S(=O)(=O)CCC(C)C

DOS

IR

Vibrations