Geometry & MOs

Info

ID:	61391
PubChem CID:	26708801
Reduced:	ClSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	474.137319
ΔH_f, kcal/mol:	-173.09
Dipole, Da:	7.19
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)N(C)C

DOS

IR

Vibrations