Geometry & MOs

Info

ID:	61383
PubChem CID:	26708756
Reduced:	ClFSO3N4C22H22 (1)
Stoich.:	ABCD3E4F22G22 (1)
Weight, g/mol:	437.100954
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	8.56
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations