Geometry & MOs

Info

ID:	59868
PubChem CID:	24900718
Reduced:	ClSN4O5C26H29 (1)
Stoich.:	ABC4D5E26F29 (1)
Weight, g/mol:	444.116859
ΔH_f, kcal/mol:	-163.5
Dipole, Da:	12.47
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-methyl-4-[3-(7-methylquinolin-6-yl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide

Drug info:

PubChemData

Smile

C1CNCCC1NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC4=CC=CC=C4.Cl

DOS

IR

Vibrations