Geometry & MOs

Info

ID:	352434
PubChem CID:	127283522
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	6.88
IP(EA), eV:	-8.62(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trimethyl-4-[4-methyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)-1,3-thiazol-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C2=NOC(=C2)C3=CN=CC=C3

DOS

IR

Vibrations