Geometry & MOs

Info

ID:	153616
PubChem CID:	56312885
Reduced:	FSN2O3C20H31 (1)
Stoich.:	ABC2D3E20F31 (1)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	6.55
IP(EA), eV:	-9.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations