Geometry & MOs

Info

ID:	310110
PubChem CID:	126574480
Reduced:	Cl2F2O2N3H7C14 (1)
Stoich.:	A2B2C2D3E7F14 (1)
Weight, g/mol:	428.087844
ΔH_f, kcal/mol:	-104.26
Dipole, Da:	5.71
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC3=C(C=C2N=C1C4=C(C=CC(=N4)Cl)Cl)OC(O3)(F)F

DOS

IR

Vibrations