Geometry & MOs

Info

ID:	358618
PubChem CID:	127296377
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCS(=O)CC3)NN=C2

DOS

IR

Vibrations