Geometry & MOs

Info

ID:	231122
PubChem CID:	87572705
Reduced:	ClO2N5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	342.099791
ΔH_f, kcal/mol:	-66.03
Dipole, Da:	2.62
IP(EA), eV:	-9.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-[5-(1,1-dioxido-1,4-thiazinan-4-yl)-3-nitropyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations