Geometry & MOs

Info

ID:	61286
PubChem CID:	26707977
Reduced:	ClSN2O4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	434.136588
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	1.8
IP(EA), eV:	-9.12(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C(C)C)Cl

DOS

IR

Vibrations