Geometry & MOs

Info

ID:	134377
PubChem CID:	51687707
Reduced:	OSN6C19H20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	363.098584
ΔH_f, kcal/mol:	63.73
Dipole, Da:	4.3
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)CN3C(=NC(=N3)SCC4=CC=CC=N4)N

DOS

IR

Vibrations