Geometry & MOs

Info

ID:	352696
PubChem CID:	127283785
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	4.91
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)N3CCS(=O)CC3

DOS

IR

Vibrations