Geometry & MOs

Info

ID:	140092
PubChem CID:	52645721
Reduced:	FN2S2O4C20H23 (1)
Stoich.:	AB2C2D4E20F23 (1)
Weight, g/mol:	359.110376
ΔH_f, kcal/mol:	-165.71
Dipole, Da:	9.6
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)SCC3=CC=CC=C3

DOS

IR

Vibrations