Geometry & MOs

Info

ID:	321386
PubChem CID:	126665939
Reduced:	OSN3C23H29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	408.098918
ΔH_f, kcal/mol:	44.35
Dipole, Da:	8.38
IP(EA), eV:	-8.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC(=CC=C2)N)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations