Geometry & MOs

Info

ID:	61253
PubChem CID:	26707462
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	466.201634
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	6.4
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations