Geometry & MOs

Info

ID:	84745
PubChem CID:	49869597
Reduced:	SO2N6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	288.029267
ΔH_f, kcal/mol:	63.47
Dipole, Da:	6.75
IP(EA), eV:	-8.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C(=O)C5=CN=C(C=C5)C6=CSN=N6

DOS

IR

Vibrations