Geometry & MOs

Info

ID:

434241

PubChem CID:

135174478

Reduced:

ClFSO3N8H20C22 (1)

Stoich.:

ABCD3E8F20G22 (1)

Weight, g/mol:

946.460228

ΔHf, kcal/mol:

-49.35

Dipole, Da:

3.9

IP(EA), eV:

 -8.69(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-N-[(6R)-2-[[3-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6-[[(6S)-5,6,7,8-tetrahydroquinolin-6-yl]carbamoyl]pyridazin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=C4C=NNC4=C(C=C3)Cl)N)NC5=C(C=C(C=C5)S(=O)(=O)C)F

DOS

IR

Vibrations