Geometry & MOs

Info

ID:	426828
PubChem CID:	135154090
Reduced:	ClS2N3O3F5H5C11 (1)
Stoich.:	AB2C3D3E5F5G11 (1)
Weight, g/mol:	474.237939
ΔH_f, kcal/mol:	-289.9
Dipole, Da:	3.57
IP(EA), eV:	-10.34(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-[(6S)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)Cl)NC(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations