Geometry & MOs

Info

ID:	368651
PubChem CID:	127329724
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	260.083078
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	3.54
IP(EA), eV:	-9.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CCCN(CC1)S(=O)(=O)CC2=NOC(=C2)C

DOS

IR

Vibrations