Geometry & MOs

Info

ID:	352722
PubChem CID:	127283811
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	3.37
IP(EA), eV:	-8.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=CC(=O)N3C=CC=CC3=N2

DOS

IR

Vibrations