Geometry & MOs

Info

ID:	123428
PubChem CID:	50846941
Reduced:	ClN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	446.083095
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	5.58
IP(EA), eV:	-9.04(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[6-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC=C2Cl)COC3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations